chempirical

1,2-Bis(4-fluorophenyl)-1,2-ethanedione

C14H8F2O2CAS 579-39-5246.21 g/mol

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Aryl halideKetone

Properties

Molecular formula
C14H8F2O2
Molar mass
246.21 g/mol
Exact mass
246.0492 Da
Melting point
119–121 °C
logP
3.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
579-39-5
SMILES
O=C(C(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIKey
BRKULQOUSCHDGS-UHFFFAOYSA-N
InChI
InChI=1S/C14H8F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H

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Names and synonyms

6 names
  • 1,2-Ethanedione, 1,2-bis(4-fluorophenyl)-
  • Benzil, 4,4′-difluoro-
  • Ethanedione, bis(4-fluorophenyl)-
  • 4,4′-Difluorobenzil
  • p,p′-Difluorobenzil
  • 4,4′-Difluorobibenzoyl

Work with 1,2-Bis(4-fluorophenyl)-1,2-ethanedione

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

4,4′-Difluorobenzophenone345-92-664 % similar 4-Fluorobenzamide824-75-958 % similar 4′-Fluoroacetophenone403-42-956 % similar 4-Fluorobenzoyl chloride403-43-056 % similar 4-Fluorobenzoic acid456-22-456 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-155 % similar 4-Fluorobenzophenone345-83-554 % similar 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-352 % similar

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

Elsewhere

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