1,2-difluoropropane

• ChemBase ID: 99487
• Molecular Formular: C3H6F2
• Molecular Mass: 80.0765464
• Monoisotopic Mass: 80.04375663
• SMILES: FCC(C)F
• Canonical SMILES: FCC(F)C
• InChI: InChI=1S/C3H6F2/c1-3(5)2-4/h3H,2H2,1H3
• InChIKey: OFHQVNFSKOBBGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-difluoropropane
• IUPAC Traditional name: 1,2-difluoropropane
• Synonyms: 1,2-Difluoropropane (FC-272ea) 97%

Database IDs

• CAS Number: 62126-90-3
• MDL Number: MFCD00040001
• PubChem SID: 162085752
• PubChem CID: 18960304

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.99007946
• LogD (pH = 7.4): 0.99007946
• Log P: 0.99007946
• Molar Refractivity: 15.5882 cm^3
• Polarizability: 5.882074 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable