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

C9H8F2OCAS 85068-30-0170.16 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
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

4 names
  • 1-Propanone, 1-(2,4-difluorophenyl)-
  • 2,4-Difluoropropiophenone
  • 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 2-Amino-2',4'-difluoroacetophenone643029-92-966 % similar 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-463 % similar 5'-Fluoro-2'-hydroxypropiophenone443-09-462 % 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

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

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