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

C₁₀H₈F₄OCAS 207974-20-7220.17 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₁₀H₈F₄O
Molar mass: 220.17 g/mol
Exact mass: 220.0511 Da
logP: 3.44Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

207974-20-7

SMILES

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

InChIKey

KEAIAOPGXGEINJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F4O/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,2H2,1H3

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Names and synonyms

1 names

1-Propanone, 1-[3-fluoro-5-(trifluoromethyl)phenyl]-

Work with 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone

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-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-479 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-861 % similar 1-(4-Fluorophenyl)-1-propanone456-03-151 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-251 % similar 1-(3,4-Difluorophenyl)-1-propanone23384-72-744 % similar Bis (trifluoromethyl)acetophenone30071-93-344 % similar 1-(2,5-Difluorophenyl)-1-propanone29112-90-142 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-042 % similar

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

Same formula

1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone207986-23-0

Elsewhere

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