2-Fluoro-5-(trifluoromethyl)propiophenone

C₁₀H₈F₄OCAS 207974-18-3220.17 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

207974-18-3

SMILES

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

InChIKey

SCKAMDGXXQFMFY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2'-Fluoro-5'-(trifluoromethyl)propiophenone

Work with 2-Fluoro-5-(trifluoromethyl)propiophenone

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-(2,5-Difluorophenyl)-1-propanone29112-90-163 % similar 2'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-762 % similar 2-Fluoro-5-(trifluoromethyl)benzamide207919-05-959 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-259 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-757 % similar 3'-(Trifluoromethyl)propiophenone1533-03-556 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-454 % similar 2-Fluoro-5-(trifluoromethyl)benzophenone199292-40-553 % 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 1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone207986-23-0 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-4

Elsewhere

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