1,1,3,3-tetrafluoropropane

• ChemBase ID: 98449
• Molecular Formular: C3H4F4
• Molecular Mass: 116.0574728
• Monoisotopic Mass: 116.02491301
• SMILES: FC(F)CC(F)F
• Canonical SMILES: FC(CC(F)F)F
• InChI: InChI=1S/C3H4F4/c4-2(5)1-3(6)7/h2-3H,1H2
• InChIKey: JDLOJZBMTBIATO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetrafluoropropane
• IUPAC Traditional name: 1,1,3,3-tetrafluoropropane
• Synonyms: 1,1,3,3-Tetrafluoropropane (HFC-254fa) 97%

Database IDs

• CAS Number: 66794-30-7
• PubChem SID: 162084875
• PubChem CID: 10154032

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8436127
• LogD (pH = 7.4): 0.8436127
• Log P: 0.8436127
• Molar Refractivity: 15.5416 cm^3
• Polarizability: 6.005014 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable