3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene

• ChemBase ID: 98801
• Molecular Formular: C9H3F15
• Molecular Mass: 396.096168
• Monoisotopic Mass: 395.9995234
• SMILES: FC(C(C(C(F)(F)F)(F)F)(F)F)(F)C(F)(C(F)(F)C(F)(C=C)F)F
• Canonical SMILES: C=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H3F15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2H,1H2
• InChIKey: RXZWAMINHJDYKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-ene
• Synonyms: 1H, 1H,2H-Perfluoronon-1-ene 98%

Database IDs

• CAS Number: 25431-45-2
• MDL Number: MFCD03788335
• PubChem SID: 162085166
• PubChem CID: 117482

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0617275
• LogD (pH = 7.4): 6.0617275
• Log P: 6.0617275
• Molar Refractivity: 44.5898 cm^3
• Polarizability: 17.039976 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant