2-Chloro-1-(2,5-difluorophenyl)ethanone

C₈H₅ClF₂OCAS 60468-36-2190.57 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: 49–50 °C
logP: 2.39Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

60468-36-2

SMILES

O=C(CCl)c1cc(F)ccc1F

InChIKey

HJWDDTDVBUFTCP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Ethanone, 2-chloro-1-(2,5-difluorophenyl)-
2-Chloro-1-(2,5-difluorophenyl)ethan-1-one

Work with 2-Chloro-1-(2,5-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-(2,5-Difluorophenyl)-1-propanone29112-90-166 % similar 2,5-Difluorobenzoyl chloride35730-09-757 % similar 2-Chloro-4′-fluoroacetophenone456-04-256 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-853 % similar 2,5-Difluorobenzoic acid2991-28-853 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-249 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-049 % similar (2,5-Difluorophenyl)phenylmethanone85068-36-649 % 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-(3,4-difluorophenyl)ethanone51336-95-9

Elsewhere

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