1-(2,6-Difluorophenyl)-1-propanone

C₉H₈F₂OCAS 85068-31-1170.16 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₈F₂O
Molar mass: 170.16 g/mol
Exact mass: 170.0543 Da
logP: 2.56Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

85068-31-1

SMILES

CCC(=O)c1c(F)cccc1F

InChIKey

ISFKUAKHXQLAFN-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

2 names

1-Propanone, 1-(2,6-difluorophenyl)-
2′,6′-Difluoropropiophenone

Work with 1-(2,6-Difluorophenyl)-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-(2,6-Difluorophenyl)ethanone13670-99-052 % similar 1-(4-Fluorophenyl)-1-propanone456-03-148 % similar Propiophenone93-55-048 % similar 1-(3-Bromo-4-fluorophenyl)-1-propanone202865-82-547 % similar 3′-Hydroxypropiophenone13103-80-547 % similar 2,6-Difluorobenzoyl chloride18063-02-047 % similar 2,6-Difluorobenzoic acid385-00-247 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone207986-23-045 % similar

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

Same formula

3,5-Difluoropropiophenone135306-45-5 1-(3,4-Difluorophenyl)-1-propanone23384-72-7 1-(2,5-Difluorophenyl)-1-propanone29112-90-1 1-(2,4-Difluorophenyl)-1-propanone85068-30-0

Elsewhere

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