chempirical

1,1′-Methylenebis[4-fluorobenzene]

C13H10F2CAS 457-68-1204.22 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C13H10F2
Molar mass
204.22 g/mol
Exact mass
204.0751 Da
Melting point
28.5 °C
Boiling point
258–260 °C (at 742 Torr)
logP
3.56Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
457-68-1
SMILES
Fc1ccc(Cc2ccc(F)cc2)cc1
InChIKey
DXQVFHQUHOFROC-UHFFFAOYSA-N
InChI
InChI=1S/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2

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Names and synonyms

7 names
  • Benzene, 1,1′-methylenebis[4-fluoro-
  • Methane, bis(p-fluorophenyl)-
  • 4,4′-Difluorodiphenylmethane
  • 1-Fluoro-4-(4-fluorobenzyl)benzene
  • Bis(p-fluorophenyl)methane
  • NSC 51803
  • Bis(4-fluorophenyl)methane

Work with 1,1′-Methylenebis[4-fluorobenzene]

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-Fluorobenzeneethanol7589-27-762 % similar 4-Fluorobenzyl chloride352-11-460 % similar 1,4-Difluorobenzene540-36-360 % similar 4-Fluorobenzylamine140-75-057 % similar 4-Fluorobenzenemethanethiol15894-04-957 % similar 4-Fluorobenzyl bromide459-46-157 % similar 1-Ethyl-4-fluorobenzene459-47-257 % similar 4-Fluorobenzyl alcohol459-56-357 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook