1-(3,4-Difluorophenyl)-1-propanone

C₉H₈F₂OCAS 23384-72-7170.16 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
Boiling point: 98 °C (at 15 Torr)
logP: 2.56Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

23384-72-7

SMILES

CCC(=O)c1ccc(F)c(F)c1

InChIKey

FSZOBSMJJFHVCQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/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-(3,4-difluorophenyl)-
Propiophenone, 3′,4′-difluoro-

Work with 1-(3,4-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-(3-Bromo-4-fluorophenyl)-1-propanone202865-82-571 % similar 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-964 % similar 1-(4-Fluorophenyl)-1-propanone456-03-159 % similar Propioveratrone1835-04-756 % similar 1-(3,4-Difluorophenyl)ethanone369-33-555 % similar 1-(3,4-Dichlorophenyl)-1-propanone6582-42-954 % similar 3′,4′-Dihydroxypropiophenone7451-98-154 % similar Ethyl 3,4-difluorobenzoate144267-96-954 % similar

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

Same formula

3,5-Difluoropropiophenone135306-45-5 1-(2,5-Difluorophenyl)-1-propanone29112-90-1 1-(2,4-Difluorophenyl)-1-propanone85068-30-0 1-(2,6-Difluorophenyl)-1-propanone85068-31-1

Elsewhere

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