1,2,3-trifluoropropane

• ChemBase ID: 100767
• Molecular Formular: C3H5F3
• Molecular Mass: 98.0670096
• Monoisotopic Mass: 98.03433482
• SMILES: FCC(F)CF
• Canonical SMILES: FCC(CF)F
• InChI: InChI=1S/C3H5F3/c4-1-3(6)2-5/h3H,1-2H2
• InChIKey: CAAVRWGWEIQJEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-trifluoropropane
• IUPAC Traditional name: 1,2,3-trifluoropropane
• Synonyms: 1,2,3-Trifluoropropane

Database IDs

• CAS Number: 66794-36-3
• MDL Number: MFCD07784185
• PubChem SID: 162086645
• PubChem CID: 12759425

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8342613
• LogD (pH = 7.4): 0.8342613
• Log P: 0.8342613
• Molar Refractivity: 15.4398 cm^3
• Polarizability: 5.904972 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 70-71°C/760mm
• Density: 1.268
• Refractive Index: 1.325

Safety Information

• Storage Warning: Flammable