3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorododeca-1,11-diene

• ChemBase ID: 93454
• Molecular Formular: C12H6F16
• Molecular Mass: 454.1504912
• Monoisotopic Mass: 454.02140171
• SMILES: FC(C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(C=C)F
• Canonical SMILES: C=CC(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12H6F16/c1-3-5(13,14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)4-2/h3-4H,1-2H2
• InChIKey: JJLUWYULIBMDGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorododeca-1,11-diene
• IUPAC Traditional name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorododeca-1,11-diene
• Synonyms: 1,8-Divinylperfluorooctane; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Hexadecafluorododeca-1,11-diene

Database IDs

• CAS Number: 35192-44-0
• MDL Number: MFCD00236092
• PubChem SID: 162080139
• PubChem CID: 2737145

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2391663
• LogD (pH = 7.4): 7.2391663
• Log P: 7.2391663
• Molar Refractivity: 57.6384 cm^3
• Polarizability: 21.739878 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 66°C/10mm
• Density: 1.392
• Refractive Index: 1.564

Safety Information

• Storage Warning: Flammable