chempirical

1-(3-Chloro-5-fluorophenyl)ethanone

C8H6ClFOCAS 842140-52-7172.58 g/mol

Open in Covalent MOL file
OFCl
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
842140-52-7
SMILES
CC(=O)c1cc(F)cc(Cl)c1
InChIKey
BVKHCVHYQNGCSC-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3

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

Names and synonyms

3 names
  • Ethanone, 1-(3-chloro-5-fluorophenyl)-
  • 3-Chloro-5-fluoroacetophenone
  • 1-(3-Chloro-5-fluorophenyl)ethan-1-one

Work with 1-(3-Chloro-5-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

3',5'-Difluoroacetophenone123577-99-171 % similar 3′-Fluoroacetophenone455-36-759 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-856 % similar 1-(3-Chlorophenyl)ethanone99-02-555 % similar 1,3-Dichloro-5-fluorobenzene1435-46-750 % similar 4′-Fluoroacetophenone403-42-950 % similar 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-850 % similar P-Chloroacetophenone99-91-250 % 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 2-(4-Fluorophenyl)acetyl chloride459-04-1 1-(2-Chloro-4-fluorophenyl)ethanone700-35-6

Elsewhere

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