1,3-difluoropropane

• ChemBase ID: 95094
• Molecular Formular: C3H6F2
• Molecular Mass: 80.0765464
• Monoisotopic Mass: 80.04375663
• SMILES: FCCCF
• Canonical SMILES: FCCCF
• InChI: InChI=1S/C3H6F2/c4-2-1-3-5/h1-3H2
• InChIKey: OOLOYCGJRJFTPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-difluoropropane
• IUPAC Traditional name: 1,3-difluoropropane
• Synonyms: 1,3-Difluoropropane 97%; 1,3-Difluoropropane; 1,3-二氟丙烷

Database IDs

• CAS Number: 462-39-5
• MDL Number: MFCD00040969
• Beilstein Number: 1696999
• PubChem SID: 162081744
• PubChem CID: 68041

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.6334642
• LogD (pH = 7.4): 0.6334642
• Log P: 0.6334642
• Molar Refractivity: 16.0348 cm^3
• Polarizability: 5.8813596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-42°C; 40-42°C
• Density: 1.006
• Refractive Index: 1.321; 1.3210

Safety Information

• Storage Warning: Flammable
• TSCA Listed: 否

Product Information

• Purity: 97%