2-Chloro-1-(3,4-difluorophenyl)ethanone

C₈H₅ClF₂OCAS 51336-95-9190.57 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: 31–32 °C
logP: 2.39Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

51336-95-9

SMILES

O=C(CCl)c1ccc(F)c(F)c1

InChIKey

VMEDAWUIKFAFJQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Ethanone, 2-chloro-1-(3,4-difluorophenyl)-
2-Chloro-3′,4′-difluoroacetophenone
2-Chloro-1-(3,4-difluorophenyl)ethan-1-one

Work with 2-Chloro-1-(3,4-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

1-(3,4-Difluorophenyl)-1-propanone23384-72-764 % similar 2-Chloro-4′-fluoroacetophenone456-04-259 % similar 2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-856 % similar 3,4-Difluorobenzoyl chloride76903-88-355 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-154 % similar 2,4′-Dichloroacetophenone937-20-252 % similar 1-(3,4-Difluorophenyl)ethanone369-33-550 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-350 % 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-(2,4-difluorophenyl)ethanone51336-94-8 2-Chloro-1-(2,5-difluorophenyl)ethanone60468-36-2

Elsewhere

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