chempirical

(3,4-Difluorophenyl)phenylmethanone

C13H8F2OCAS 85118-07-6218.20 g/mol

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Aryl halideKetone

Properties

Molecular formula
C13H8F2O
Molar mass
218.20 g/mol
Exact mass
218.0543 Da
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
85118-07-6
SMILES
O=C(c1ccccc1)c1ccc(F)c(F)c1
InChIKey
ZJTYHSBOZAQQGF-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

2 names
  • Methanone, (3,4-difluorophenyl)phenyl-
  • 3,4-Difluorobenzophenone

Work with (3,4-Difluorophenyl)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

1,4-Dibenzoylbenzene3016-97-562 % similar 2-Fluorobenzophenone342-24-561 % similar 1,3-Dibenzoylbenzene3770-82-961 % similar 4-Fluorobenzophenone345-83-560 % similar Benzophenone119-61-958 % similar 2-Benzoylnaphthalene644-13-356 % similar 4-Phenylbenzophenone2128-93-053 % similar 3,4-Dihydroxybenzophenone10425-11-353 % similar

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

Same formula

(2,3-Difluorophenyl)phenylmethanone208173-20-0 2,4′-Difluorobenzophenone342-25-6 3,3′-Difluorobenzophenone345-70-0 4,4'-Difluorobenzophenone345-92-6 (2-Fluorophenyl)(3-fluorophenyl)methanone58139-11-0 (2,6-Difluorophenyl)phenylmethanone59189-51-4 (2,4-Difluorophenyl)phenylmethanone85068-35-5 (2,5-Difluorophenyl)phenylmethanone85068-36-6

Elsewhere

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