chempirical

5,7-Difluoro-2,3-dihydro-1H-inden-1-one

C9H6F2OCAS 84315-25-3168.14 g/mol

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Aryl halideKetone

Properties

Molecular formula
C9H6F2O
Molar mass
168.14 g/mol
Exact mass
168.0387 Da
logP
2.09Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
84315-25-3
SMILES
O=C1CCc2cc(F)cc(F)c21
InChIKey
XWZGNWCKXLECBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2

Weigh it out

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

Names and synonyms

3 names
  • 1H-Inden-1-one, 5,7-difluoro-2,3-dihydro-
  • 5,7-Difluoroindan-1-one
  • 5,7-Difluoro-2,3-dihydro-1H-indene-1-one

Work with 5,7-Difluoro-2,3-dihydro-1H-inden-1-one

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

5-Fluoro-1-indanone700-84-553 % similar 2,4,6-Trifluorobenzoic acid28314-80-946 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-746 % similar 7-Chloro-2,3-dihydro-1H-inden-1-one34911-25-642 % similar 4-Bromo-7-fluoro-2,3-dihydroinden-1-one1003048-72-341 % similar 2,3,5-Trifluorophenylacetic acid132992-28-041 % similar 5,7-Difluoro-2,3-dihydrobenzofuran175203-20-039 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-239 % similar

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

Elsewhere

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