1-(2,4-Difluorophenyl)-1-propanone

C₉H₈F₂OCAS 85068-30-0170.16 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

85068-30-0

SMILES

CCC(=O)c1ccc(F)cc1F

InChIKey

UZWOADNMVRRYDE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

1-Propanone, 1-(2,4-difluorophenyl)-
2,4-Difluoropropiophenone
2′,4′-Difluoropropiophenone

Work with 1-(2,4-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

2-Bromo-2',4'-difluoroacetophenone102429-07-266 % similar 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-866 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-659 % similar 1-(2,4-Difluorophenyl)ethanone364-83-057 % similar Ethyl 2,4-difluorobenzoate108928-00-356 % similar 1-(4-Fluorophenyl)-1-propanone456-03-156 % similar 2,4-Difluorobenzoic acid1583-58-053 % similar 2,4-Difluorobenzoyl chloride72482-64-553 % 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-(2,6-Difluorophenyl)-1-propanone85068-31-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook