1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone

C₉H₆F₄OCAS 237761-81-8206.14 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₆F₄O
Molar mass: 206.14 g/mol
Exact mass: 206.0355 Da
logP: 3.05Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

237761-81-8

SMILES

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

InChIKey

NXQBONPKAOTSNA-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F4O/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Ethanone, 1-[3-fluoro-4-(trifluoromethyl)phenyl]-
3′-Fluoro-4′-(trifluoromethyl)acetophenone
3-Fluoro-4-trifluoromethylacetophenone
1-(3-Fluoro-4-(trifluoromethyl)phenyl)ethan-1-one

Work with 1-[3-Fluoro-4-(trifluoromethyl)phenyl]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)ethanone369-33-564 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-463 % similar 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-762 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-262 % similar 4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-261 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-457 % similar 4-(Trifluoromethyl)acetophenone709-63-754 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-454 % similar

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

Same formula

2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-4 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-8 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-1

Elsewhere

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