chempirical

3′-Fluoroacetophenone

C8H7FOCAS 455-36-7138.14 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C8H7FO
Molar mass
138.14 g/mol
Exact mass
138.0481 Da
Boiling point
81 °C
logP
2.03Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
455-36-7
SMILES
CC(=O)c1cccc(F)c1
InChIKey
HCEKGPAHZCYRBZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(3-fluorophenyl)-
  • Acetophenone, 3′-fluoro-
  • 1-(3-Fluorophenyl)ethanone
  • m-Fluoroacetophenone
  • 1-Acetyl-3-fluorobenzene
  • m-Fluorophenyl methyl ketone
  • 3-Fluorophenyl methyl ketone
  • NSC 88301
  • 3-Acetyl-1-fluorobenzene
  • Methyl 3-fluorophenyl ketone
  • 1-(3-Fluorophenyl)ethan-1-one

Work with 3′-Fluoroacetophenone

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

1,3-Diacetylbenzene6781-42-672 % similar 3',5'-Difluoroacetophenone123577-99-167 % similar 3,3′-Difluorobenzophenone345-70-061 % similar 3′-Methylacetophenone585-74-060 % similar 1-(3-Chlorophenyl)ethanone99-02-560 % similar 1-(3-Chloro-5-fluorophenyl)ethanone842140-52-759 % similar 3-Hydroxyacetophenone121-71-158 % similar 3-Iodoacetophenone14452-30-358 % similar

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

Same formula

2-Fluoro-6-methylbenzaldehyde117752-04-2 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5 4′-Fluoroacetophenone403-42-9 2′-Fluoroacetophenone445-27-2 2-Fluoro-1-phenylethanone450-95-3

Elsewhere

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