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

C9H8F2OCAS 85068-31-1170.16 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 the 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
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

3 names
  • 1-Propanone, 1-(2,6-difluorophenyl)-
  • 2′,6′-Difluoropropiophenone
  • 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

2,6-Difluorophenacyl bromide56159-89-861 % similar 1-(2'-Fluoro-[1,1'-biphenyl]-4-yl)propan-1-one37989-92-754 % similar 7-Fluoroindan-1-one651735-59-053 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-052 % similar 1-(4-Fluorophenyl)-1-propanone456-03-148 % similar Propiophenone93-55-048 % similar 3'-Bromo-4'-fluoropropiophenone202865-82-547 % similar 3'-Hydroxypropiophenone13103-80-547 % 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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