1,1,1,3-tetrafluoropropane

• ChemBase ID: 12136
• Molecular Formular: C3H4F4
• Molecular Mass: 116.0574728
• Monoisotopic Mass: 116.02491301
• SMILES: C(CCF)(F)(F)F
• Canonical SMILES: FCCC(F)(F)F
• InChI: InChI=1S/C3H4F4/c4-2-1-3(5,6)7/h1-2H2
• InChIKey: PFFGXVGPSGJOBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3-tetrafluoropropane
• IUPAC Traditional name: 1,1,1,3-tetrafluoropropane
• Synonyms: 1,1,1,3-Tetrafluoropropane; 1,1,1,3-Tetrafluoropropane (FC-254fb) 97%

Database IDs

• CAS Number: 460-36-6
• MDL Number: MFCD02093292
• PubChem SID: 160975443
• PubChem CID: 2776724

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3707669
• LogD (pH = 7.4): 1.3707669
• Log P: 1.3707669
• Molar Refractivity: 16.4711 cm^3
• Polarizability: 6.010203 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 29-30°C

Safety Information

• Storage Warning: Flammable; GAS, FLAMMABLE
• TSCA Listed: false

Product Information

• Purity: 97%