1,2,2-trifluoropropane

• ChemBase ID: 98440
• Molecular Formular: C3H5F3
• Molecular Mass: 98.0670096
• Monoisotopic Mass: 98.03433482
• SMILES: FCC(F)(C)F
• Canonical SMILES: FCC(F)(F)C
• InChI: InChI=1S/C3H5F3/c1-3(5,6)2-4/h2H2,1H3
• InChIKey: DONSGGANNRCHDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,2-trifluoropropane
• IUPAC Traditional name: 1,2,2-trifluoropropane
• Synonyms: 1,2,2-Trifluoropropane 97%

Database IDs

• CAS Number: 811-94-9
• PubChem SID: 162084866
• PubChem CID: 13394808

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0869132
• LogD (pH = 7.4): 1.0869132
• Log P: 1.0869132
• Molar Refractivity: 16.1514 cm^3
• Polarizability: 5.91103 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable