chempirical

2′,3′,4′,5′,6′-Pentafluoroacetophenone

C8H3F5OCAS 652-29-9210.10 g/mol

Open in Covalent MOL file
OFFFFF
Aryl halideKetone

Properties

Molecular formula
C8H3F5O
Molar mass
210.10 g/mol
Exact mass
210.0104 Da
Melting point
130.5 °C
Boiling point
130–131 °C
logP
2.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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
652-29-9
SMILES
CC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIKey
FBGHCYZBCMDEOX-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3

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Names and synonyms

12 names
  • 2',3',4',5',6'-Pentafluoroacetophenone
  • 1-(2,3,4,5,6-Pentafluorophenyl)ethanone
  • Ethanone, 1-(2,3,4,5,6-pentafluorophenyl)-
  • Acetophenone, 2′,3′,4′,5′,6′-pentafluoro-
  • Ethanone, 1-(pentafluorophenyl)-
  • 2,3,4,5,6-Pentafluoroacetophenone
  • Pentafluoroacetophenone
  • Pentafluorophenyl methyl ketone
  • Acetylpentafluorobenzene
  • Methyl pentafluorophenyl ketone
  • 1-Pentafluorophenylethanone
  • 1-(Pentafluorophenyl)ethan-1-one

Work with 2′,3′,4′,5′,6′-Pentafluoroacetophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2,3,6-Trifluorophenyl)ethanone208173-22-256 % similar Decafluorobenzophenone853-39-450 % similar 2',3',4',5'-Tetrafluoroacetophenone66286-21-348 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-048 % similar 3'-Chloro-2',6'-difluoroacetophenone177942-50-647 % similar 3',4',5'-Trifluoroacetophenone220141-73-146 % similar 2',4',6'-Trifluoroacetophenone51788-77-346 % similar 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-946 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook