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Details

Stereochemistry ACHIRAL
Molecular Formula 2C3F6O.3H2O
Molecular Weight 386.0897
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXAFLUOROACETONE SESQUIHYDRATE

SMILES

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

InChI

InChIKey=VAIZVCMDJPBJCM-UHFFFAOYSA-N
InChI=1S/2C3F6O.3H2O/c2*4-2(5,6)1(10)3(7,8)9;;;/h;;3*1H2

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Trifluoromethyl ketone-based inhibitors of apoptosis in cerebellar granule neurons.
2001 Nov
Intermolecular Overhauser effects in fluoroalcohol solutions of cyclo-alanylglycine.
2002 Aug 15
Environmental mimic of receptor interaction: conformational analysis of CCK-15 in solution.
2002 Feb 14
'Entourage' effects of N-acyl ethanolamines at human vanilloid receptors. Comparison of effects upon anandamide-induced vanilloid receptor activation and upon anandamide metabolism.
2002 Jun
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
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
Hexafluoroacetone as protecting and activating reagent: site-selective functionalization of iminodiacetic acid.
2004 Dec
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
A new class of inhibitors of 2-arachidonoylglycerol hydrolysis and invasion of prostate cancer cells.
2005 Jul 15
Conformational equilibria in formic acid and the adduct of formic acid and hexafluoroacetone, HCO2C(CF3)2OH.
2007 Mar 16
Hepatic sequestration of chlordecone and hexafluoroacetone evaluated by pharmacokinetic modeling.
2007 May 5
Diethyl [2,2,2-trifluoro-1-phenyl-sulfonyl-amino-1-(trifluoro-meth-yl)eth-yl]phospho-nate.
2008 Aug 1
Trifluoromethyl ketones from enolizable carboxylic acids via enediolate trifluoroacetylation/decarboxylation.
2008 Dec 5
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
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
Development and biological activity of a new antagonist of the pheromone of the codling moth Cydia pomonella.
2009 Sep 23
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
Patents
Name Type Language
HEXAFLUOROACETONE SESQUIHYDRATE
Common Name English
2-PROPANONE, HEXAFLUORO-, SESQUIHYDRATE
Systematic Name English
2-PROPANONE, 1,1,1,3,3,3-HEXAFLUORO-, SESQUIHYDRATE
Systematic Name English
2-PROPANONE, 1,1,1,3,3,3-HEXAFLUORO-, HYDRATE (2:3)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7025392
Created by admin on Sat Dec 16 08:03:56 GMT 2023 , Edited by admin on Sat Dec 16 08:03:56 GMT 2023
PRIMARY
PUBCHEM
3032602
Created by admin on Sat Dec 16 08:03:56 GMT 2023 , Edited by admin on Sat Dec 16 08:03:56 GMT 2023
PRIMARY
FDA UNII
CU1NOZ8PS6
Created by admin on Sat Dec 16 08:03:56 GMT 2023 , Edited by admin on Sat Dec 16 08:03:56 GMT 2023
PRIMARY
CAS
13098-39-0
Created by admin on Sat Dec 16 08:03:56 GMT 2023 , Edited by admin on Sat Dec 16 08:03:56 GMT 2023
PRIMARY