chempirical

(4-Fluorophenyl)acetone

C9H9FOCAS 459-03-0152.17 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C9H9FO
Molar mass
152.17 g/mol
Exact mass
152.0637 Da
Density
1.107 g/mL (at 20 °C)
Boiling point
108 °C (at 18 Torr)
logP
1.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
459-03-0
SMILES
CC(=O)Cc1ccc(F)cc1
InChIKey
ZUEKIIWSVFBTCM-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

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Names and synonyms

9 names
  • 2-Propanone, 1-(4-fluorophenyl)-
  • 2-Propanone, 1-(p-fluorophenyl)-
  • 2-Propanone, (p-fluorophenyl)-
  • 1-(4-Fluorophenyl)-2-propanone
  • p-Fluorobenzyl methyl ketone
  • (p-Fluorophenyl)acetone
  • 4-Fluorobenzyl methyl ketone
  • 3-(4-Fluorophenyl)-2-propanone
  • 1-Acetonyl-4-fluorobenzene

Work with (4-Fluorophenyl)acetone

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-Hydroxyphenylacetone770-39-862 % similar Phenylacetone103-79-761 % similar (4-Chlorophenyl)acetone5586-88-960 % similar 4-Pyridylacetone6304-16-157 % similar 4-Methoxyphenylacetone122-84-956 % similar (4-Fluorophenyl)acetic acid405-50-555 % similar 2-(4-Fluorophenyl)acetyl chloride459-04-155 % similar 1-(3,4-Dihydroxyphenyl)-2-propanone2503-44-850 % similar

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

Same formula

2-Fluoro-1-phenyl-1-propanone21120-36-5 1-(2-Fluorophenyl)-2-propanone2836-82-0 1-(4-Fluorophenyl)-1-propanone456-03-1

Elsewhere

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