chempirical

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

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-Chloro-2-hydroxyphenyl)ethanone6921-66-060 % similar 4-Acetyl-3-fluorophenol98619-07-960 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-159 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-457 % similar

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

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 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 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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