1-(2,6-Dichloro-3-fluorophenyl)ethanone

C₈H₅Cl₂FOCAS 290835-85-7207.03 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₅Cl₂FO
Molar mass: 207.03 g/mol
Exact mass: 205.9701 Da
logP: 3.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

290835-85-7

SMILES

CC(=O)c1c(Cl)ccc(F)c1Cl

InChIKey

VJBFZHHRVCPAPZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3

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Names and synonyms

4 names

Ethanone, 1-(2,6-dichloro-3-fluorophenyl)-
2′,6′-Dichloro-3′-fluoroacetophenone
2,6-Dichloro-3-fluoroacetophenone
1-(2,6-Dichloro-3-fluorophenyl)ethan-1-one

Work with 1-(2,6-Dichloro-3-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

2,6-Dichloro-3-fluorobenzoic acid178813-78-061 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-459 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-356 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-055 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-254 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-251 % similar 1-(2,3,4-Trichlorophenyl)ethanone13608-87-250 % similar

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

Same formula

2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-6 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-7 2′,4′-Dichloro-5′-fluoroacetophenone704-10-9

Elsewhere

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