2′,4′-Dichloro-5′-fluoroacetophenone

C₈H₅Cl₂FOCAS 704-10-9207.03 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
Melting point: 35–36 °C
Boiling point: 112–115 °C (at 5 Torr)
logP: 3.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

704-10-9

SMILES

CC(=O)c1cc(F)c(Cl)cc1Cl

InChIKey

FAKJFAMIABOKBW-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

Ethanone, 1-(2,4-dichloro-5-fluorophenyl)-
Acetophenone, 2′,4′-dichloro-5′-fluoro-
1-(2,4-Dichloro-5-fluorophenyl)ethanone
1-(2,4-Dichloro-5-fluorophenyl)ethan-1-one

Work with 2′,4′-Dichloro-5′-fluoroacetophenone

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'-Chloro-4',5'-difluoroacetophenone121872-94-483 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-262 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-261 % similar 1-(2,4,5-Trifluorophenyl)ethanone129322-83-458 % similar 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-457 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-657 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-853 % similar 2′-Chloroacetophenone2142-68-952 % 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 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-7

Elsewhere

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