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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

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

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A short and efficient synthesis of L-5,5,5,5',5',5'-hexafluoroleucine from N-Cbz-L-serine.
2002 Nov 28
Regulation of adhesion of AML14.3D10 cells by surface clustering of beta2-integrin caused by ERK-independent activation of cPLA2.
2002 Sep
Conformation of the cecropin-melittin hybrid, cecropin A(1-8)-melittin (1-18) antibacterial Peptide.
2004 Apr
Inhibitory action of a new proton pump inhibitor, trifluoromethyl ketone derivative, against the motility of clarithromycin-susceptible and-resistant Helicobacter pylori.
2004 Jun
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
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
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
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
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
Direct construction of 1,3-diaxial diol derivatives by C-H hydroxylation.
2009 Aug 20
Thermal chemistry and photochemistry of hexafluoroacetone on rutile TiO2(110).
2010 Jul 28
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:56 GMT 2023
Edited
by admin
on Sat Dec 16 08:03:56 GMT 2023
Record UNII
CU1NOZ8PS6
Record Status Validated (UNII)
Record Version
  • Download
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
Related Record Type Details
ANHYDROUS->SOLVATE