3,3,4,4,5,5,5-heptafluoropent-1-ene

• ChemBase ID: 7702
• Molecular Formular: C5H3F7
• Molecular Mass: 196.0661424
• Monoisotopic Mass: 196.01229764
• SMILES: C(C(C(C=C)(F)F)(F)F)(F)(F)F
• Canonical SMILES: C=CC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H3F7/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2
• InChIKey: LQAPOTKKMIZDGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,5-heptafluoropent-1-ene
• IUPAC Traditional name: 3,3,4,4,5,5,5-heptafluoropent-1-ene
• Synonyms: 1H,1H,2H-Heptafluoropent-1-ene; (Heptafluoropropyl)ethylene; (Perfluoropropyl)ethylene; 3,3,4,4,5,5,5-Heptafluoropent-1-ene 97%

Database IDs

• CAS Number: 355-08-8; 71164-40-4
• MDL Number: MFCD00039253
• PubChem SID: 160971009
• PubChem CID: 67727

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2591565
• LogD (pH = 7.4): 3.2591565
• Log P: 3.2591565
• Molar Refractivity: 25.9178 cm^3
• Polarizability: 9.411566 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 30-31°C
• Flash Point: 100°C
• Density: 1.3391
• Refractive Index: 1.2752

Safety Information

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

Product Information

• Purity: 95%

DETAILS

Apollo Scientific Ltd - PC4502

Cylinder - 1/4" NPTM connection