chempirical

4,4'-Difluorobenzophenone

C13H8F2OCAS 345-92-6218.20 g/mol

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Aryl halideKetone

Properties

Molecular formula
C13H8F2O
Molar mass
218.20 g/mol
Exact mass
218.0543 Da
Melting point
109 °C
logP
3.20Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
345-92-6
SMILES
O=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIKey
LSQARZALBDFYQZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

Weigh it out

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

Names and synonyms

11 names
  • Methanone, bis(4-fluorophenyl)-
  • Benzophenone, 4,4′-difluoro-
  • Bis(4-fluorophenyl)methanone
  • 4,4′-Difluorobenzophenone
  • p,p′-Difluorobenzophenone
  • Bis(4-fluorophenyl) ketone
  • Di-p-fluorophenyl ketone
  • Bis(p-fluorophenyl) ketone
  • NSC 51800
  • 4,4′-Difluorodiphenyl ketone
  • 4,4′-Difluorodiphenylmethanone

Work with 4,4'-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

4-Fluorobenzophenone345-83-582 % similar 4-Fluoro-4′-hydroxybenzophenone25913-05-775 % similar (4-Fluorophenyl)(4-methoxyphenyl)methanone345-89-167 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-564 % similar (4-Fluorophenyl)-2-thienylmethanone579-49-759 % similar 4-Fluorobenzamide824-75-958 % similar (2-Chlorophenyl)(4-fluorophenyl)methanone1806-23-157 % similar 2′-Amino-4-fluorobenzophenone3800-06-457 % 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 (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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