2-Chloro-1-(2,4-difluorophenyl)ethanone

C₈H₅ClF₂OCAS 51336-94-8190.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₅ClF₂O
Molar mass: 190.57 g/mol
Exact mass: 189.9997 Da
Melting point: 46–47 °C
logP: 2.39Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

51336-94-8

SMILES

O=C(CCl)c1ccc(F)cc1F

InChIKey

UENGBOCGGKLVJJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

Weigh it out

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

Names and synonyms

6 names

Ethanone, 2-chloro-1-(2,4-difluorophenyl)-
2-Chloro-2′,4′-difluoroacetophenone
Chloromethyl 2,4-difluorophenyl ketone
α-Chloro-2,4-difluoroacetophenone
2-Chloro-1-(2,4-difluorophenyl)ethan-1-one
1-(2,4-Difluorophenyl)-2-chloroethan-1-one

Work with 2-Chloro-1-(2,4-difluorophenyl)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-Bromo-2',4'-difluoroacetophenone102429-07-266 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-066 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-659 % similar 2,4-Difluorobenzoyl chloride72482-64-557 % similar 2-Chloro-4′-fluoroacetophenone456-04-256 % similar 2,4-Difluorobenzoic acid1583-58-053 % similar 1-(2,4-Difluorophenyl)ethanone364-83-053 % similar 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone86404-63-952 % similar

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

Same formula

2'-Chloro-4',5'-difluoroacetophenone121872-94-4 2,6-Difluoro-3-methylbenzoyl chloride261763-39-7 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-9 2-Chloro-1-(2,5-difluorophenyl)ethanone60468-36-2

Elsewhere

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