chempirical

2,2,2,3′-Tetrafluoroacetophenone

C8H4F4OCAS 708-64-5192.11 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
logP
2.57Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
708-64-5
SMILES
O=C(c1cccc(F)c1)C(F)(F)F
InChIKey
NQSPTMFCJGKOQJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-6-3-1-2-5(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

12 names
  • Ethanone, 2,2,2-trifluoro-1-(3-fluorophenyl)-
  • Acetophenone, 2,2,2,3′-tetrafluoro-
  • 2,2,2-Trifluoro-1-(3-fluorophenyl)ethanone
  • m,α,α,α-Tetrafluoroacetophenone
  • m-Fluoro-α,α,α-trifluoroacetophenone
  • α,α,α-Trifluoro-m-fluoroacetophenone
  • m-Fluorophenyl trifluoromethyl ketone
  • NSC 158170
  • 3-Fluorophenyl trifluoromethyl ketone
  • 1-(3-Fluorophenyl)-2,2,2-trifluoroethanone
  • 2,2,2-Trifluoro-1-(3-fluorophenyl)-1-ethanone
  • 2,2,2-Trifluoro-1-(3-fluorophenyl)ethan-1-one

Work with 2,2,2,3′-Tetrafluoroacetophenone

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-phenylethanone434-45-762 % similar 3,3′-Difluorobenzophenone345-70-057 % similar 2,2,2-Trifluoro-1-(3-nitrophenyl)ethanone657-15-855 % similar 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-252 % similar 3-Fluorobenzoyl chloride1711-07-552 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-952 % similar 3′-Fluoroacetophenone455-36-752 % similar 3-Fluorobenzoic acid455-38-952 % 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 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook