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

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

3'-Bromo-2,2,2-trifluoroacetophenone655-26-566 % similar 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-Fluorobenzophenone345-69-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7 2,2,2,4′-Tetrafluoroacetophenone655-32-3

Elsewhere

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