4'-Fluoro-2'-(trifluoromethyl)acetophenone

C₉H₆F₄OCAS 208173-21-1206.14 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

Hazards

Warning

H302 Harmful if swallowed94.5% of notifiers
H412 Harmful to aquatic life with long lasting effects94.5% of notifiers

Aggregated from 110 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number

208173-21-1

SMILES

CC(=O)c1ccc(F)cc1C(F)(F)F

InChIKey

WBCCAINPZLAKRN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone
Ethanone, 1-[4-fluoro-2-(trifluoromethyl)phenyl]-
1-(4-Fluoro-2-trifluoromethylphenyl)ethanone
4′-Fluoro-2′-trifluoromethylacetophenone
1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethan-1-one

Work with 4'-Fluoro-2'-(trifluoromethyl)acetophenone

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

4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-862 % similar 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-462 % similar 2'-(Trifluoromethyl)acetophenone17408-14-962 % similar 1-(2,4-Difluorophenyl)ethanone364-83-060 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-957 % similar 4'-Fluoro-2'-hydroxyacetophenone1481-27-257 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-657 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-856 % similar

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

Same formula

2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-4 2'-Fluoro-6'-(trifluoromethyl)acetophenone174013-29-7 2'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-7 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-8 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one207853-63-2 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-4 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook