1-(2-Chloro-5-fluorophenyl)ethanone

C₈H₆ClFOCAS 2965-16-4172.58 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆ClFO
Molar mass: 172.58 g/mol
Exact mass: 172.0091 Da
Density: 1.2884 g/mL (at 23 °C)
Boiling point: 77–78 °C (at 4 Torr)
logP: 2.68Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

2965-16-4

SMILES

CC(=O)c1cc(F)ccc1Cl

InChIKey

KDBNPMAKHFSEBH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Ethanone, 1-(2-chloro-5-fluorophenyl)-
Acetophenone, 2′-chloro-5′-fluoro-
2-Chloro-5-fluorophenyl methyl ketone
2′-Chloro-5′-fluoroacetophenone

Work with 1-(2-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

1-(2,5-Difluorophenyl)ethanone1979-36-864 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-164 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-360 % similar 2-Chloro-5-fluorobenzoic acid2252-50-860 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-160 % similar 1-(5-Fluoro-2-iodophenyl)ethanone914225-70-060 % similar 2′-Chloroacetophenone2142-68-959 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-459 % 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 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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