Home Other Building Blocks 1,1,1-Trifluoroacetone

1,1,1-Trifluoroacetone

CAS No.:
421-50-1
Catalog Number:
AG003D5N
Molecular Formula:
C3H3F3O
Molecular Weight:
112.0505
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Product Description
Catalog Number:
AG003D5N
Chemical Name:
1,1,1-Trifluoroacetone
CAS Number:
421-50-1
Molecular Formula:
C3H3F3O
Molecular Weight:
112.0505
MDL Number:
MFCD00000423
IUPAC Name:
1,1,1-trifluoropropan-2-one
InChI:
InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
InChI Key:
FHUDAMLDXFJHJE-UHFFFAOYSA-N
SMILES:
CC(=O)C(F)(F)F
EC Number:
207-005-9
NSC Number:
66412
Properties
Complexity:
82.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.014g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.051g/mol
Monoisotopic Mass:
112.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Inhibition of firefly luciferase by general anesthetics: effect on in vitro and in vivo bioluminescence imaging. PloS one 20120101
Straightforward synthesis of 1-alkyl-2-(trifluoromethyl)aziridines starting from 1,1,1-trifluoroacetone. Organic & biomolecular chemistry 20111021
How trifluoroacetone interacts with water. The journal of physical chemistry. A 20110901
Synthesis of 2-trifluoromethyl-1,3-oxazolidines as hydrolytically stable pseudoprolines. The Journal of organic chemistry 20100618
EPR/spin-trapping study of free radical intermediates in the photolysis of trifluoromethyl ketones with initiators. Magnetic resonance in chemistry : MRC 20100301
Oxidative stress and autophagy in cardiac disease, neurological disorders, aging and cancer. Oxidative medicine and cellular longevity 20100101
Biotransformation of 2,3,3,3-tetrafluoropropene (HFO-1234yf). Toxicology and applied pharmacology 20081201
Trimerization products of trifluoroacetone: critical solvent effect on position and kinetics of anomeric equilibria. The Journal of organic chemistry 20080215
Oppenauer oxidation of secondary alcohols with 1,1,1-trifluoroacetone as hydride acceptor. The Journal of organic chemistry 20071123
Carbinolamines, imines, and oxazolidines from fluorinated propranolol analogs. (19)F NMR and mass spectral characterization and evidence for formation as intermediates in cytochrome P450-catalyzed N-dealkylation. Drug metabolism and disposition: the biological fate of chemicals 20010801
Cytosolic phospholipase A2 participates with TNF-alpha in the induction of apoptosis of human macrophages infected with Mycobacterium tuberculosis H37Ra. Journal of immunology (Baltimore, Md. : 1950) 20010615
Properties