hexadecafluorooct-1-ene

• ChemBase ID: 12095
• Molecular Formular: C8F16
• Molecular Mass: 400.0600512
• Monoisotopic Mass: 399.97445152
• SMILES: C(=C(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
• InChI: InChI=1S/C8F16/c9-1(2(10)11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
• InChIKey: YCBPKOZNGFQMPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecafluorooct-1-ene
• IUPAC Traditional name: hexadecafluorooct-1-ene
• Synonyms: Perfluorooctene-1; Perfluorooct-1-ene

Database IDs

• CAS Number: 559-14-8
• MDL Number: MFCD00236708
• PubChem SID: 160975402
• PubChem CID: 2782409

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.3156548
• LogD (pH = 7.4): 5.3156548
• Log P: 5.3156548
• Molar Refractivity: 51.1792 cm^3
• Polarizability: 15.671421 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 105°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%