1,1,2,3,3-pentafluoroprop-1-ene

• ChemBase ID: 95501
• Molecular Formular: C3HF5
• Molecular Mass: 132.032056
• Monoisotopic Mass: 131.99984113
• SMILES: FC(F)C(=C(F)F)F
• Canonical SMILES: FC(C(=C(F)F)F)F
• InChI: InChI=1S/C3HF5/c4-1(2(5)6)3(7)8/h2H
• InChIKey: NDMMKOCNFSTXRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3,3-pentafluoroprop-1-ene
• IUPAC Traditional name: 1,1,2,3,3-pentafluoroprop-1-ene
• Synonyms: 1,1,2,3,3-Pentafluoropropene; 3H-Perfluoroprop-1-ene 97%

Database IDs

• CAS Number: 433-66-9
• MDL Number: MFCD07777211
• PubChem SID: 162082150
• PubChem CID: 594043

CALCULATED PROPERTIES

• Acid pKa: 18.845398
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3236808
• LogD (pH = 7.4): 1.3236808
• Log P: 1.3236808
• Molar Refractivity: 26.9495 cm^3
• Polarizability: 5.90844 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -101.2°C
• Boiling Point: 1-2°C
• Density: 1.4607

Safety Information

• Storage Warning: Flammable

DETAILS

Apollo Scientific Ltd - PC3141

Cylinder - 1/4" NPT connection