(2E)-hexadecafluorooct-2-ene

• ChemBase ID: 12096
• Molecular Formular: C8F16
• Molecular Mass: 400.0600512
• Monoisotopic Mass: 399.97445152
• SMILES: C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)(/C(F)(F)F)\F
• Canonical SMILES: F/C(=C(\C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)/C(F)(F)F
• InChI: InChI=1S/C8F16/c9-1(2(10)4(13,14)15)3(11,12)5(16,17)6(18,19)7(20,21)8(22,23)24/b2-1+
• InChIKey: RGBFMLVTZCWFSL-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-hexadecafluorooct-2-ene; hexadecafluorooct-2-ene
• IUPAC Traditional name: (2E)-hexadecafluorooct-2-ene; hexadecafluorooct-2-ene
• Synonyms: Perfluorooctene-2; Perfluorooct-2-ene

Database IDs

• CAS Number: 65500-50-7
• MDL Number: MFCD04038344
• PubChem SID: 160975403
• PubChem CID: 2782410

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9623446
• LogD (pH = 7.4): 4.9623446
• Log P: 4.9623446
• Molar Refractivity: 42.1154 cm^3
• Polarizability: 15.668534 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

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