2,2,2-Trifluoro-1-phenylethanone
Properties
- Molecular formula
- C8H5F3O
- Molar mass
- 174.12 g/mol
- Exact mass
- 174.0292 Da
- Density
- 1.279 g/mL (at 20 °C)
- Melting point
- −40 °C
- Boiling point
- 153 °C
- logP
- 2.43Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
434-45-7SMILES
O=C(c1ccccc1)C(F)(F)FInChIKey
KZJRKRQSDZGHEC-UHFFFAOYSA-NInChI
InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Ethanone, 2,2,2-trifluoro-1-phenyl-
- Acetophenone, 2,2,2-trifluoro-
- 2,2,2-Trifluoroacetophenone
- Phenyl trifluoromethyl ketone
- Trifluoromethyl phenyl ketone
- α,α,α-Trifluoroacetophenone
- ω,ω,ω-Trifluoroacetophenone
- 2,2,2-Trifluoro-1-phenyl-1-ethanone
- NSC 42752
- (Trifluoroacetyl)benzene
- 1-Phenyl-2,2,2-trifluoro-ethanone
- 1-Phenyl-α,α,α-trifluoroethanone
Work with 2,2,2-Trifluoro-1-phenylethanone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-363 % similar
2,2,2,3′-Tetrafluoroacetophenone708-64-562 % similar
4′-Bromo-2,2,2-trifluoroacetophenone16184-89-761 % similar
1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-261 % similar
1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-961 % similar
1,2,2,2-Tetraphenylethanone466-37-556 % similar
2,2-Dimethyl-1-phenyl-1-propanone938-16-956 % similar
P-Decyl-A,A,A-trifluoroacetophenone100444-41-551 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds