2-Fluoro-4-(trifluoromethyl)acetophenone

C₉H₆F₄OCAS 122023-29-4206.14 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

122023-29-4

SMILES

CC(=O)C1=C(C=C(C=C1)C(F)(F)F)F

InChIKey

OLDXVWXLMGJVPH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

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

Work with 2-Fluoro-4-(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

2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-862 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-062 % similar 1-(2,4-Difluorophenyl)ethanone364-83-060 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-159 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-857 % similar 3′-(Trifluoromethyl)acetophenone349-76-857 % similar 4-Acetyl-3-fluorophenol98619-07-957 % similar 2',4'-Difluoro-3'-(trifluoromethyl) acetophenone1202679-46-656 % similar

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

Same formula

1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-8 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-1 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook