chempirical

2-Chloro-4′-fluoroacetophenone

C8H6ClFOCAS 456-04-2172.58 g/mol

Open in Covalent MOL file
OClF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
Melting point
48 °C
Boiling point
137 °C
logP
2.25Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
456-04-2
SMILES
O=C(CCl)c1ccc(F)cc1
InChIKey
UJZWJOQRSMOFMA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 2-chloro-1-(4-fluorophenyl)-
  • Acetophenone, 2-chloro-4′-fluoro-
  • 2-Chloro-1-(4-fluorophenyl)ethanone
  • p-Fluorophenacyl chloride
  • 2-Chloro-1-(4-fluorophenyl)-1-ethanone
  • 4-Fluorophenacyl chloride
  • α-Chloro-p-fluoroacetophenone
  • 4′-Fluoro-2-chloroacetophenone
  • 2-Chloro-1-(4′-fluorophenyl)ethanone
  • 2′-Chloro-4-fluoroacetophenone
  • Chloromethyl 4-fluorophenyl ketone

Work with 2-Chloro-4′-fluoroacetophenone

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

3-Chloro-4′-fluoropropiophenone347-93-367 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-263 % similar 2,4′-Dichloroacetophenone937-20-262 % similar Phenacyl chloride532-27-461 % similar 4-Fluorophenacyl bromide403-29-260 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-660 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-360 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-960 % similar

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

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-2 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0 2-(4-Fluorophenyl)acetyl chloride459-04-1 1-(2-Chloro-4-fluorophenyl)ethanone700-35-6 1-(3-Chloro-5-fluorophenyl)ethanone842140-52-7

Elsewhere

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