1-(4-Chloro-2-fluorophenyl)ethanone

C8H6ClFOCAS 175711-83-8172.58 g/mol

Open in Covalent MOL file
OClF
Aryl halideKetone

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
logP
2.68Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
175711-83-8
SMILES
CC(=O)c1ccc(Cl)cc1F
InChIKey
OIGMDNONQJGUCF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Ethanone, 1-(4-chloro-2-fluorophenyl)-
  • 4′-Chloro-2′-fluoroacetophenone
  • 1-(4-Chloro-2-fluorophenyl)ethan-1-one

Work with 1-(4-Chloro-2-fluorophenyl)ethanone

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

2',4'-Dichloroacetophenone2234-16-464 % similar 1-(2,4-Difluorophenyl)ethanone364-83-064 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-862 % similar 4-Chloro-2-fluorobenzoic acid446-30-060 % similar 1-(4-Bromo-2-fluorophenyl)ethan-1-one625446-22-260 % similar 1-(4-Chloro-2-hydroxyphenyl)ethanone6921-66-060 % similar 1-(2-Bromo-4-chlorophenyl)ethanone825-40-160 % similar 4-Acetyl-3-fluorophenol98619-07-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 4'-Chloro-3'-fluoroacetophenone151945-84-5 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-1 5-Fluoro-2-methylbenzoyl chloride21900-39-0 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7 3'-Chloro-4'-fluoroacetophenone2923-66-2 2'-Chloro-5'-fluoroacetophenone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

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