chempirical

1,3-Difluoro-5-propylbenzene

C9H10F2CAS 183245-00-3156.18 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C9H10F2
Molar mass
156.18 g/mol
Exact mass
156.0751 Da
logP
2.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
183245-00-3
SMILES
CCCC1=CC(=CC(=C1)F)F
InChIKey
AXTNQJKYTXEYRM-UHFFFAOYSA-N
InChI
InChI=1S/C9H10F2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6H,2-3H2,1H3

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Names and synonyms

1 names
  • Benzene, 1,3-difluoro-5-propyl- (9ci)

Work with 1,3-Difluoro-5-propylbenzene

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-Butyl-3,5-difluorobenzene1245649-46-075 % similar 1-Ethyl-3,5-difluorobenzene117358-52-858 % similar Tetrapropylenebenzene25265-78-548 % similar 5-Propyl-1,3-benzenediol500-49-248 % similar 3,5-Difluorobenzyl bromide141776-91-246 % similar 3,5-Difluorobenzyl chloride220141-71-946 % similar 3,5-Difluorobenzyl alcohol79538-20-846 % similar 3,5-Difluorobenzylamine90390-27-546 % similar

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

Elsewhere

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