chempirical

2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone

C8H4F4OCAS 655-32-3192.11 g/mol

Open in Covalent MOL file
OFFFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H4F4O
Molar mass
192.11 g/mol
Exact mass
192.0198 Da
Melting point
27–29 °C
Boiling point
39–40 °C (at 7 Torr)
logP
2.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
655-32-3
SMILES
O=C(c1ccc(F)cc1)C(F)(F)F
InChIKey
LUKLMXJAEKXROG-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Ethanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-
  • Acetophenone, 2,2,2,4′-tetrafluoro-
  • p,α,α,α-Tetrafluoroacetophenone
  • 2,2,2,4′-Tetrafluoroacetophenone
  • p-Fluoro-α,α,α-trifluoroacetophenone
  • Trifluoromethyl p-fluorophenyl ketone
  • p-Fluorophenyl trifluoromethyl ketone
  • NSC 158171
  • 4-Fluorophenyl trifluoromethyl ketone
  • 1-(4-Fluorophenyl)-2,2,2-trifluoroethanone
  • α,α,α,p-Tetrafluoroacetophenone
  • α,α,α,4-Tetrafluoroacetophenone
  • 1-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-one
  • 2,2,2-Trifluoro-1-(4-fluorophenyl)ethan-1-one

Work with 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,2-Trifluoro-1-phenylethanone434-45-763 % similar 4′-Bromo-2,2,2-trifluoroacetophenone16184-89-762 % similar 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-262 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-962 % similar 4,4'-Difluorobenzophenone345-92-652 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-552 % similar 4′-Fluoroacetophenone403-42-952 % similar P-Decyl-A,A,A-trifluoroacetophenone100444-41-549 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0 2,2,2,3′-Tetrafluoroacetophenone708-64-5 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook