chempirical

4-Chloro-1-(4-fluorophenyl)-1-butanone

C10H10ClFOCAS 3874-54-2200.64 g/mol

Open in Covalent MOL file
OClF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C10H10ClFO
Molar mass
200.64 g/mol
Exact mass
200.0404 Da
Density
1.2267 g/mL (at 20 °C)
Melting point
5–6 °C
Boiling point
136–142 °C (at 6 Torr)
logP
3.03Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
3874-54-2
SMILES
O=C(CCCCl)c1ccc(F)cc1
InChIKey
HXAOUYGZEOZTJO-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2

Weigh it out

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

Names and synonyms

25 names · show all
  • 1-Butanone, 4-chloro-1-(4-fluorophenyl)-
  • Butyrophenone, 4-chloro-4′-fluoro-
  • p-Fluoro-ω-chlorobutyrophenone
  • 3-(4-Fluorobenzoyl)propyl chloride
  • 4-Chloro-p-fluorobutyrophenone
  • 4-Chloro-1-(p-fluorophenyl)-1-butanone
  • 4-Chloro-4′-fluorobutyrophenone
  • 4-p-Fluorophenyl-4-oxo-1-chlorobutane
  • ω-Chloro-p-fluorobutyrophenone
  • γ-Chloro-p-fluorobutyrophenone
  • 3-Chloropropyl 4-fluorophenyl ketone
  • p-Fluoro-4-chlorobutyrophenone
  • γ-Chloro-4-fluorobutyrophenone
  • 4-(4-Fluorophenyl)-4-oxobutyl chloride
  • 4-(p-Fluorophenyl)-4-oxobutyl chloride
  • 4-Chloro-1-(p-fluorophenyl)-1-oxobutane
  • 4′-Fluoro-4-chlorobutyrophenone
  • p-Fluoro-γ-chlorobutyrophenone
  • 3-(p-Fluorobenzoyl)propyl chloride
  • ω-Chloro-4-fluorobutyrophenone
  • 1-Chloro-4-(4-fluorophenyl)-4-oxobutane
  • ω-Chloropropyl 4-fluorophenyl ketone
  • 4-Chloro-4′-chlorobutyrophenone
  • NSC 87082
  • 3-(4-Fluorophenylcarbonyl)-1-chloropropane

Work with 4-Chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-4′-fluoropropiophenone347-93-380 % similar 4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-667 % similar 4-Chlorobutyrophenone939-52-666 % similar 2-Chloro-4′-fluoroacetophenone456-04-263 % similar 4-Fluoro-δ-oxobenzenepentanoic acid149437-76-361 % similar 4-Chloro-1-(4-methoxyphenyl)-1-butanone40877-19-859 % similar 4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone43076-61-559 % similar 1-(4-Fluorophenyl)-1-butanone582-83-259 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook