3,5-Difluoropropiophenone

C9H8F2OCAS 135306-45-5170.16 g/mol

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Aryl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3'-Fluoro-5'-(trifluoromethyl)propiophenone207974-20-770 % similar 1-(4-Fluorophenyl)-1-propanone456-03-166 % similar 1-(3,5-Difluoro-4-hydroxyphenyl)propan-1-one178374-78-258 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-455 % similar 3',5'-Difluoroacetophenone123577-99-150 % similar Propiophenone93-55-050 % similar 3'-Bromo-4'-fluoropropiophenone202865-82-549 % similar 5'-Fluoro-2'-hydroxypropiophenone443-09-449 % 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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