1,1,1,2-tetrafluoropropane

• ChemBase ID: 94149
• Molecular Formular: C3H4F4
• Molecular Mass: 116.0574728
• Monoisotopic Mass: 116.02491301
• SMILES: FC(F)(F)C(C)F
• Canonical SMILES: CC(C(F)(F)F)F
• InChI: InChI=1S/C3H4F4/c1-2(4)3(5,6)7/h2H,1H3
• InChIKey: INEMUVRCEAELBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrafluoropropane
• IUPAC Traditional name: 1,1,1,2-tetrafluoropropane
• Synonyms: 1,1,1,2-Tetrafluoropropane (FC-254eb) 97%

Database IDs

• CAS Number: 421-48-7
• MDL Number: MFCD09998069
• PubChem SID: 162080804
• PubChem CID: 12583891

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7441859
• LogD (pH = 7.4): 1.7441859
• Log P: 1.7441859
• Molar Refractivity: 16.4381 cm^3
• Polarizability: 6.0117197 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable