chempirical

1-(4-Fluorophenyl)-1-butanone

C10H11FOCAS 582-83-2166.20 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C10H11FO
Molar mass
166.20 g/mol
Exact mass
166.0794 Da
Melting point
39 °C
Boiling point
230–232 °C
logP
2.81Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
582-83-2
SMILES
CCCC(=O)c1ccc(F)cc1
InChIKey
QHDXPJMOWRLLRV-UHFFFAOYSA-N
InChI
InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Butanone, 1-(4-fluorophenyl)-
  • Butyrophenone, 4′-fluoro-
  • p-Fluorobutyrophenone
  • 4′-Fluorobutyrophenone
  • 1-(4-Fluorophenyl)butan-1-one

Work with 1-(4-Fluorophenyl)-1-butanone

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-Fluorophenyl)-1-propanone456-03-167 % similar 1-(4-Methylphenyl)-1-butanone4160-52-565 % similar Butyrophenone495-40-963 % similar 4′-Hydroxybutyrophenone1009-11-663 % similar 1-(4-Aminophenyl)-1-butanone1688-71-763 % similar 3-Chloro-4′-fluoropropiophenone347-93-363 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-963 % similar 1-(4-Bromophenyl)-1-butanone4981-64-063 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook