chempirical

1,3-Difluoropropane

C3H6F2CAS 462-39-580.08 g/mol

Open in Covalent MOL file
FF
Alkyl halide

Properties

Molecular formula
C3H6F2
Molar mass
80.08 g/mol
Exact mass
80.0438 Da
logP
1.32Crippen 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
462-39-5
SMILES
C(CF)CF
InChIKey
OOLOYCGJRJFTPM-UHFFFAOYSA-N
InChI
InChI=1S/C3H6F2/c4-2-1-3-5/h1-3H2

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Names and synonyms

1 names
  • Propane, 1,3-difluoro-

Work with 1,3-Difluoropropane

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

1,2-Difluoroethane624-72-656 % similar 1-Fluorobutane2366-52-150 % similar 1-Bromo-3-fluoropropane352-91-050 % similar 1-Chloro-3-fluoropropane462-38-450 % similar 1-Iodo-3-fluoropropane462-40-850 % similar 3-Fluoro-1-propanol462-43-150 % similar 1-Bromo-4-fluorobutane462-72-647 % similar 1-Fluoropentane592-50-747 % similar

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

Same formula

2,2-Difluoropropane420-45-1

Elsewhere

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