chempirical

1-(2-Fluorophenyl)-2-propanone

C9H9FOCAS 2836-82-0152.17 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
Boiling point
47 °C (at 0.05 Torr)
logP
1.96Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
2836-82-0
SMILES
CC(=O)Cc1ccccc1F
InChIKey
BANVZEUCJHUPOI-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanone, 1-(2-fluorophenyl)-
  • 2-Propanone, 1-(o-fluorophenyl)-
  • 2-Propanone, (o-fluorophenyl)-
  • 1-(o-Fluorophenyl)-2-propanone
  • 3-(2-Fluorophenyl)-2-propanone
  • 1-(2-Fluorophenyl)propan-2-one
  • 1-(2-Fluorophenyl)acetone
  • (o-Fluorophenyl)acetone
  • 2-Fluorophenylacetone

Work with 1-(2-Fluorophenyl)-2-propanone

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-Fluorobenzeneacetyl chloride451-81-058 % similar (2-Fluorophenyl)acetic acid451-82-158 % similar 1-(2-Methoxyphenyl)-2-propanone5211-62-154 % similar Phenylacetone103-79-752 % similar Indole-3-acetone1201-26-947 % similar 2′-Fluoroacetophenone445-27-244 % similar 2-Fluorobenzyl chloride345-35-744 % similar 2-Fluorobenzyl bromide446-48-044 % similar

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

Same formula

2-Fluoro-1-phenyl-1-propanone21120-36-5 1-(4-Fluorophenyl)-1-propanone456-03-1 (4-Fluorophenyl)acetone459-03-0

Elsewhere

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