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

• ChemBase ID: 6760
• Molecular Formular: C3HF5
• Molecular Mass: 132.032056
• Monoisotopic Mass: 131.99984113
• SMILES: C(=CC(F)(F)F)(F)F
• Canonical SMILES: FC(=CC(F)(F)F)F
• InChI: InChI=1S/C3HF5/c4-2(5)1-3(6,7)8/h1H
• InChIKey: QAERDLQYXMEHEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 690-27-7
• MDL Number: MFCD00042591
• PubChem SID: 160970067
• PubChem CID: 69647

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.037021
• LogD (pH = 7.4): 2.037021
• Log P: 2.037021
• Molar Refractivity: 27.7114 cm^3
• Polarizability: 5.9083796 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -153°C
• Boiling Point: -21°C

Safety Information

• Storage Warning: Extremely Flammable; GAS
• TSCA Listed: false

Product Information

• Purity: 97%

DETAILS

Apollo Scientific Ltd - PC5708

Cylinder - 1/4" NPT connection