chempirical

[2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone

C14H8F4OCAS 207974-08-1268.21 g/mol

Open in Covalent MOL file
OFFFF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C14H8F4O
Molar mass
268.21 g/mol
Exact mass
268.0511 Da
logP
4.08Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
207974-08-1
SMILES
O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1F
InChIKey
VXVJVWCUWZLUIJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H8F4O/c15-12-8-10(14(16,17)18)6-7-11(12)13(19)9-4-2-1-3-5-9/h1-8H

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

Names and synonyms

2 names
  • Methanone, [2-fluoro-4-(trifluoromethyl)phenyl]phenyl-
  • 2-Fluoro-4-(trifluoromethyl)benzophenone

Work with [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone

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

4′-Trifluoromethylbenzophenone728-86-963 % similar 3-(Trifluoromethyl)benzophenone728-81-462 % similar (2,4-Difluorophenyl)phenylmethanone85068-35-562 % similar 2-Fluorobenzophenone342-24-560 % similar [3,5-Bis(trifluoromethyl)phenyl]phenylmethanone21221-93-259 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-859 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-459 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-059 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook