1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone

C₁₀H₈F₄OCAS 207986-23-0220.17 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

207986-23-0

SMILES

CCC(=O)c1cccc(C(F)(F)F)c1F

InChIKey

GUQSGIYHKUPVTH-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

1-Propanone, 1-[2-fluoro-3-(trifluoromethyl)phenyl]-

Work with 1-[2-Fluoro-3-(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

2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-657 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-757 % similar Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, sodium salt (1:1)1701446-41-457 % similar Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate212755-77-646 % similar 2-Methyl-3-(trifluoromethyl)benzoic acid62089-35-445 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-945 % similar 1-(2,6-Difluorophenyl)-1-propanone85068-31-145 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-545 % similar

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

Same formula

1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone207974-20-7

Elsewhere

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