chempirical

Decafluorobenzophenone

C13F10OCAS 853-39-4362.13 g/mol

Open in Covalent MOL file
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Aryl halideKetone

Properties

Molecular formula
C13F10O
Molar mass
362.13 g/mol
Exact mass
361.9789 Da
Melting point
91–92 °C
logP
4.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
853-39-4
SMILES
O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIKey
WWQLXRAKBJVNCC-UHFFFAOYSA-N
InChI
InChI=1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17

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

Names and synonyms

6 names
  • Methanone, bis(2,3,4,5,6-pentafluorophenyl)-
  • Benzophenone, decafluoro-
  • Methanone, bis(pentafluorophenyl)-
  • Bis(2,3,4,5,6-pentafluorophenyl)methanone
  • Perfluorobenzophenone
  • NSC 96914

Work with Decafluorobenzophenone

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

2,3,4,5,6-Pentafluorobenzophenone1536-23-858 % similar Pentafluorobenzoyl chloride2251-50-550 % similar Pentafluorobenzoic acid602-94-850 % similar Tetrafluorophthalic acid652-03-950 % similar Tetrafluorophthalic anhydride652-12-050 % similar 1-(2,3,4,5,6-Pentafluorophenyl)ethanone652-29-950 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-845 % similar Hexafluorobenzene392-56-340 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook