3,5-Difluoropropiophenone

C₉H₈F₂OCAS 135306-45-5170.16 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

135306-45-5

SMILES

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

InChIKey

FVDQWXARVQADKN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3',5'-Difluoropropiophenone

Work with 3,5-Difluoropropiophenone

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-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone207974-20-770 % similar 1-(4-Fluorophenyl)-1-propanone456-03-166 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-455 % similar 3',5'-Difluoroacetophenone123577-99-150 % similar Propiophenone93-55-050 % similar 1-(3-Bromo-4-fluorophenyl)-1-propanone202865-82-549 % similar 4′-Methylpropiophenone5337-93-947 % similar 3,5-Difluorobenzamide132980-99-547 % similar

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

Same formula

1-(3,4-Difluorophenyl)-1-propanone23384-72-7 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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