chempirical

4′-Fluoroacetophenone

C8H7FOCAS 403-42-9138.14 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
Density
1.043 g/mL (at 30 °C)
Melting point
−45 °C
Boiling point
196 °C
logP
2.03Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
403-42-9
SMILES
CC(=O)c1ccc(F)cc1
InChIKey
ZDPAWHACYDRYIW-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanone, 1-(4-fluorophenyl)-
  • Acetophenone, 4′-fluoro-
  • 1-(4-Fluorophenyl)ethanone
  • p-Fluoroacetophenone
  • 1-Acetyl-4-fluorobenzene
  • Methyl 4-fluorophenyl ketone
  • 4-Acetylfluorobenzene
  • 4-Fluorophenyl methyl ketone
  • 1-(4-Fluorophenyl)ethan-1-one
  • 4-Acetylphenyl fluoride
  • NSC 30635
  • p-Fluorophenyl methyl ketone
  • p-Fluorohypnone
  • 4-Flouroacetophenone

Work with 4′-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

1,4-Diacetylbenzene1009-61-671 % similar 1-[4-[(4-Fluorophenyl)methoxy]phenyl]ethanone72293-96-064 % similar 3',5'-Difluoroacetophenone123577-99-162 % similar 3′-Fluoroacetophenone455-36-761 % similar P-Methylacetophenone122-00-958 % similar 4,4'-Difluorobenzophenone345-92-656 % similar 1,2-Bis(4-fluorophenyl)-1,2-ethanedione579-39-556 % similar Acetophenone98-86-256 % similar

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

Same formula

2-Fluoro-6-methylbenzaldehyde117752-04-2 (R)-(4-Fluorophenyl)oxirane134356-73-3 4-Fluoro-3-methylbenzaldehyde135427-08-6 2-Fluoro-4-methylbenzaldehyde146137-80-6 3-Fluoro-2-methylbenzaldehyde147624-13-3 3-Fluoro-4-methylbenzaldehyde177756-62-6 2-(4-Fluorophenyl)oxirane18511-62-1 3-Fluoro-5-methylbenzaldehyde189628-39-5

Elsewhere

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