1-(2,3,6-Trifluorophenyl)ethanone

C₈H₅F₃OCAS 208173-22-2174.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₅F₃O
Molar mass: 174.12 g/mol
Exact mass: 174.0292 Da
logP: 2.31Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

208173-22-2

SMILES

CC(=O)c1c(F)ccc(F)c1F

InChIKey

INDGVPJYDRJJPJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names

Ethanone, 1-(2,3,6-trifluorophenyl)-
2′,3′,6′-Trifluoroacetophenone
1-(2,3,6-Trifluorophenyl)ethan-1-one

Work with 1-(2,3,6-Trifluorophenyl)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

1-(2,6-Difluorophenyl)ethanone13670-99-064 % similar 1-(2,3,4,5,6-Pentafluorophenyl)ethanone652-29-956 % similar 2,3,6-Trifluorobenzoic acid2358-29-455 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-454 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-751 % similar 1-(3,4-Difluorophenyl)ethanone369-33-550 % similar 2',4'-Difluoro-3'-(trifluoromethyl) acetophenone1202679-46-649 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-847 % similar

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

Same formula

1-(2,4,5-Trifluorophenyl)ethanone129322-83-4 2,2,2-Trifluoro-1-phenylethanone434-45-7 2-(Trifluoromethyl)benzaldehyde447-61-0 3-(Trifluoromethyl)benzaldehyde454-89-7 4-(Trifluoromethyl)benzaldehyde455-19-6

Elsewhere

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