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Details

Stereochemistry ACHIRAL
Molecular Formula C3F6O
Molecular Weight 166.0219
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAFLUOROACETONE

SMILES

FC(F)(F)C(=O)C(F)(F)F

InChI

InChIKey=VBZWSGALLODQNC-UHFFFAOYSA-N
InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9

HIDE SMILES / InChI

Molecular Formula C3F6O
Molecular Weight 166.0219
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis of a new potential tridentate anthracene ligand bearing deprotectable methoxymethoxy (OMOM) group at 1,8-positions: attempt to synthesize anionic hypervalent carbon compounds.
2003 Aug 4
Production of interferon-beta by fibroblast cells on membranes prepared with RGD-containing peptides.
2003 Jun 1
Histone deacetylase inhibitors: the Abbott experience.
2003 Nov
Design, synthesis, and biological evaluation of simplified alpha-keto heterocycle, trifluoromethyl ketone, and formyl substituted folate analogues as potential inhibitors of GAR transformylase and AICAR transformylase.
2003 Oct 1
The antimotility action of a trifluoromethyl ketone on some gram-negative bacteria.
2004
Conformation of the cecropin-melittin hybrid, cecropin A(1-8)-melittin (1-18) antibacterial Peptide.
2004 Apr
Hexafluoroacetone as protecting and activating reagent: site-selective functionalization of iminodiacetic acid.
2004 Dec
Responses of the olfactory receptor neurons of the corn stalk borer Sesamia nonagrioides to components of the pheromone blend and their inhibition by a trifluoromethyl ketone analogue of the main component.
2004 Jul
Effect of a trifluoromethyl ketone on the motility of proton pump-deleted mutant of Escherichia coli strain and its wild-type.
2004 Jul-Aug
Conformational study of fragments of envelope proteins (gp120: 254-274 and gp41: 519-541) of HIV-1 by NMR and MD simulations.
2004 Jun
Inhibitory action of a new proton pump inhibitor, trifluoromethyl ketone derivative, against the motility of clarithromycin-susceptible and-resistant Helicobacter pylori.
2004 Jun
Structure and solvation of melittin in hexafluoroacetone/water.
2004 Jun 15
The low barrier hydrogen bond (LBHB) proposal revisited: the case of the Asp... His pair in serine proteases.
2004 May 15
Effects of trifluoromethyl ketones on the motility of Proteus vulgaris.
2004 Sep
A new class of inhibitors of 2-arachidonoylglycerol hydrolysis and invasion of prostate cancer cells.
2005 Jul 15
Use of lithium hexafluoroisopropoxide as a mild base for Horner-Wadsworth-Emmons olefination of epimerizable aldehydes.
2005 Sep 15
Structural studies of a potent insect maturation inhibitor bound to the juvenile hormone esterase of Manduca sexta.
2006 Apr 4
A concise asymmetric route for the synthesis of a novel class of glucocorticoid mimetics containing a trifluoromethyl-substituted alcohol.
2006 Feb
Distinctive influence of two hexafluoro solvents on the structural stabilization of Bombyx mori silk fibroin protein and its derived peptides: 13C NMR and CD studies.
2006 Jan
Peptide inhibitors of Dengue virus NS3 protease. Part 1: Warhead.
2006 Jan 1
Hexafluoroacetone as protecting and activating reagent: new routes to amino, hydroxy, and mercapto acids and their application for peptide and glyco- and depsipeptide modification.
2006 Nov
Cytotoxic activity of selected trifluoromethyl ketones against oral tumor cells.
2006 Nov-Dec
Complex structure of a bacterial class 2 histone deacetylase homologue with a trifluoromethylketone inhibitor.
2007 Apr 1
The cooperative effect between active site ionized groups and water desolvation controls the alteration of acid/base catalysis in serine proteases.
2007 Aug 13
Conformational equilibria in formic acid and the adduct of formic acid and hexafluoroacetone, HCO2C(CF3)2OH.
2007 Mar 16
Organocatalytic diastereo- and enantioselective Michael addition reactions of 5-aryl-1,3-dioxolan-4-ones.
2007 May 24
Hepatic sequestration of chlordecone and hexafluoroacetone evaluated by pharmacokinetic modeling.
2007 May 5
Synthesis of trifluoromethyl-substituted pyrazoles and 1,2,4-triazines by ring transformation of mesoionic 4-trifluoroacetyl-1,3-oxazolium-5-olates with phenylhydrazine.
2008 Apr
Diethyl [2,2,2-trifluoro-1-phenyl-sulfonyl-amino-1-(trifluoro-meth-yl)eth-yl]phospho-nate.
2008 Aug 1
Neutrophil elastase reduces secretion of secretory leukoproteinase inhibitor (SLPI) by lung epithelial cells: role of charge of the proteinase-inhibitor complex.
2008 Aug 12
Synthesis of polyfluoro ketones for selective inhibition of human phospholipase A2 enzymes.
2008 Dec 25
Trifluoromethyl ketones from enolizable carboxylic acids via enediolate trifluoroacetylation/decarboxylation.
2008 Dec 5
Silklike materials constructed from sequences of Bombyx mori silk fibroin, fibronectin, and elastin.
2008 Feb
One-pot synthesis of 3-fluoro-4-(trifluoromethyl)quinolines from pentafluoropropen-2-ol and their molecular modification.
2008 Feb 15
Influence of sulfur oxidation state and steric bulk upon trifluoromethyl ketone (TFK) binding kinetics to carboxylesterases and fatty acid amide hydrolase (FAAH).
2008 Feb 15
Ligand-directed immobilization of proteins through an esterase 2 fusion tag studied by atomic force microscopy.
2008 Jan 4
Physiologically based pharmacokinetic modeling of persistent organic pollutants for lifetime exposure assessment: a new tool in breast cancer epidemiologic studies.
2008 Jul
Screening of the active site from water by the incoming ligand triggers catalysis and inhibition in serine proteases.
2008 Mar
A novel protecting/activating strategy for beta-hydroxy acids and its use in convergent peptide synthesis.
2008 Mar 21
Inhibition of cyclooxygenases 1 and 2 by the phospholipase-blocker, arachidonyl trifluoromethyl ketone.
2008 Nov
HKI 46F08, a novel potent histone deacetylase inhibitor, exhibits antitumoral activity against embryonic childhood cancer cells.
2008 Oct
Direct construction of 1,3-diaxial diol derivatives by C-H hydroxylation.
2009 Aug 20
Development and biological activity of a new antagonist of the pheromone of the codling moth Cydia pomonella.
2009 Sep 23
Olfactory proteins mediating chemical communication in the navel orangeworm moth, Amyelois transitella.
2009 Sep 30
Mechanical properties of regenerated Bombyx mori silk fibers and recombinant silk fibers produced by transgenic silkworms.
2010
Application of spectroscopic methods for structural analysis of chitin and chitosan.
2010 Apr 29
Thermal chemistry and photochemistry of hexafluoroacetone on rutile TiO2(110).
2010 Jul 28
Identification of new non-carboxylic acid containing inhibitors of aldose reductase.
2010 Jun 1
Structural optimization of photoswitch ligands for surface attachment of alpha-chymotrypsin and regulation of its surface binding.
2010 Jun 18
EPR/spin-trapping study of free radical intermediates in the photolysis of trifluoromethyl ketones with initiators.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:42 UTC 2023
Edited
by admin
on Fri Dec 15 19:51:42 UTC 2023
Record UNII
AKU9463N1Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXAFLUOROACETONE
MI  
Systematic Name English
1,1,1,3,3,3-HEXAFLUORO-2-PROPANONE [HSDB]
Common Name English
1,1,1,3,3,3-HEXAFLUORO-2-PROPANONE
HSDB  
Systematic Name English
HEXAFLUOROACETONE [MI]
Common Name English
NSC-202438
Code English
NCI-C56440
Code English
Code System Code Type Description
WIKIPEDIA
HEXAFLUOROACETONE
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
PUBCHEM
12695
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
CAS
684-16-2
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
FDA UNII
AKU9463N1Y
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
NSC
202438
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
MESH
C017366
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
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EPA CompTox
DTXSID9043778
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
MERCK INDEX
m5991
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
211-676-3
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
HSDB
2896
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
CHEBI
39429
Created by admin on Fri Dec 15 19:51:42 UTC 2023 , Edited by admin on Fri Dec 15 19:51:42 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS