chempirical

3,3′-Difluorobenzophenone

C13H8F2OCAS 345-70-0218.20 g/mol

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Aryl halideKetone

Properties

Molecular formula
C13H8F2O
Molar mass
218.20 g/mol
Exact mass
218.0543 Da
Melting point
61.5 °C
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
345-70-0
SMILES
O=C(c1cccc(F)c1)c1cccc(F)c1
InChIKey
UBJLBNGSWJBOGI-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H

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Names and synonyms

3 names
  • Methanone, bis(3-fluorophenyl)-
  • Benzophenone, 3,3′-difluoro-
  • Bis(3-fluorophenyl)methanone

Work with 3,3′-Difluorobenzophenone

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-Fluorobenzoyl chloride1711-07-561 % similar 3′-Fluoroacetophenone455-36-761 % similar 3-Fluorobenzoic acid455-38-961 % similar 1,3-Dibenzoylbenzene3770-82-960 % similar 4-Fluorobenzophenone345-83-559 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-557 % similar Methyl m-fluorobenzoate455-68-555 % similar Sodium m-fluorobenzoate499-57-055 % 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 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 (3,4-Difluorophenyl)phenylmethanone85118-07-6

Elsewhere

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