1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone

C₉H₆F₄OCAS 202664-54-8206.14 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

202664-54-8

SMILES

CC(=O)c1cc(F)cc(C(F)(F)F)c1

InChIKey

BDIYAWLPLVWTJY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Ethanone, 1-[3-fluoro-5-(trifluoromethyl)phenyl]-
1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethan-1-one

Work with 1-[3-Fluoro-5-(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

Bis (trifluoromethyl)acetophenone30071-93-377 % similar 3',5'-Difluoroacetophenone123577-99-167 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone207974-20-761 % similar 3′-(Trifluoromethyl)acetophenone349-76-858 % similar 4-(Trifluoromethyl)acetophenone709-63-756 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-456 % similar 1-(3-Chloro-5-fluorophenyl)ethanone842140-52-756 % similar 3′-Fluoroacetophenone455-36-751 % similar

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

Same formula

2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-4 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-1 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-8

Elsewhere

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