chempirical

2-(4-Fluorophenyl)acetyl chloride

C8H6ClFOCAS 459-04-1172.58 g/mol

Open in Covalent MOL file
OClF
Acyl halideAryl halide

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
Boiling point
102–104 °C (at 12 Torr)
logP
2.13Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
459-04-1
SMILES
O=C(Cl)Cc1ccc(F)cc1
InChIKey
SIOJFYRPBYGHOO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2

Weigh it out

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

Names and synonyms

5 names
  • Benzeneacetyl chloride, 4-fluoro-
  • Acetyl chloride, (p-fluorophenyl)-
  • 4-Fluorobenzeneacetyl chloride
  • (p-Fluorophenyl)acetyl chloride
  • 4-Fluorophenylacetyl chloride

Work with 2-(4-Fluorophenyl)acetyl chloride

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-Chlorobenzeneacetyl chloride25026-34-062 % similar Phenylacetyl chloride103-80-061 % similar (4-Fluorophenyl)acetic acid405-50-555 % similar (4-Fluorophenyl)acetone459-03-055 % similar 4-Methoxybenzeneacetyl chloride4693-91-855 % similar 2-Naphthaleneacetyl chloride37859-25-950 % similar 4-Fluorobenzyl chloride352-11-446 % similar 4-Fluorobenzoyl chloride403-43-045 % 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-Chloro-4′-fluoroacetophenone456-04-2 1-(2-Chloro-4-fluorophenyl)ethanone700-35-6 1-(3-Chloro-5-fluorophenyl)ethanone842140-52-7

Elsewhere

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