chempirical

3-Chloro-4′-fluoropropiophenone

C9H8ClFOCAS 347-93-3186.61 g/mol

Open in Covalent MOL file
OClF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H8ClFO
Molar mass
186.61 g/mol
Exact mass
186.0248 Da
Melting point
49–50 °C
Boiling point
100–103 °C (at 3 Torr)
logP
2.64Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
347-93-3
SMILES
O=C(CCCl)c1ccc(F)cc1
InChIKey
AAHQPLJUSLMHHR-UHFFFAOYSA-N
InChI
InChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanone, 3-chloro-1-(4-fluorophenyl)-
  • Propiophenone, 3-chloro-4′-fluoro-
  • 3-Chloro-1-(4-fluorophenyl)-1-propanone
  • 2-Chloroethyl p-fluorophenyl ketone
  • 2-(p-Fluorobenzoyl)ethyl chloride
  • β-Chloro-4′-fluoropropiophenone
  • 1-(3-Chloropropanoyl)-4-fluorobenzene
  • 2-Chloroethyl 4-fluorophenyl ketone
  • NSC 36072

Work with 3-Chloro-4′-fluoropropiophenone

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-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-280 % similar 2-Chloro-4′-fluoroacetophenone456-04-267 % similar 3-Chloro-1-(4-chlorophenyl)-1-propanone3946-29-065 % similar 3-Chloropropiophenone936-59-463 % similar 1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-963 % similar 1-(4-Fluorophenyl)-1-butanone582-83-263 % similar 3-(4-Fluorobenzoyl)propionic acid366-77-859 % similar 4-Fluorophenacyl bromide403-29-256 % similar

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

Same formula

1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-4 2-Chloro-1-(4-fluorophenyl)-1-propanone81112-09-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook