1,1,2,3,3,4,4,5,5,6,6-undecafluorohex-1-ene

• ChemBase ID: 98755
• Molecular Formular: C6HF11
• Molecular Mass: 282.0545752
• Monoisotopic Mass: 281.99026045
• SMILES: FC(C(F)(F)C(C(=C(F)F)F)(F)F)(C(F)F)F
• Canonical SMILES: FC(=C(C(C(C(C(F)F)(F)F)(F)F)(F)F)F)F
• InChI: InChI=1S/C6HF11/c7-1(2(8)9)4(12,13)6(16,17)5(14,15)3(10)11/h3H
• InChIKey: DDWZJDVOCYVHKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,3,3,4,4,5,5,6,6-undecafluorohex-1-ene
• IUPAC Traditional name: 1,1,2,3,3,4,4,5,5,6,6-undecafluorohex-1-ene
• Synonyms: 6H-Perfluorohex-1-ene

Database IDs

• CAS Number: 1767-94-8
• MDL Number: MFCD00156093
• PubChem SID: 162085124
• PubChem CID: 2776155

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4256089
• LogD (pH = 7.4): 3.4256089
• Log P: 3.4256089
• Molar Refractivity: 40.9535 cm^3
• Polarizability: 11.648058 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 19.783062

PROPERTIES

Physical Property

• Boiling Point: 75-76°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant