(7E)-1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene

• ChemBase ID: 11825
• Molecular Formular: C14H2F26
• Molecular Mass: 664.1241632
• Monoisotopic Mass: 663.97413378
• SMILES: C(=C\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C14H2F26/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H/b2-1+
• InChIKey: SFEKJPRYZMFTFH-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7E)-1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene; 1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene
• IUPAC Traditional name: (7E)-1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene; 1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene
• Synonyms: trans-1,2-Bis(perfluorohexyl)ethylene; trans-1,2-Bis(perfluorohexyl)ethylene; trans-7H,8H-Perfluorotetradec-7-ene 99%

Database IDs

• CAS Number: 51249-67-3
• MDL Number: MFCD03094106
• PubChem SID: 160975132
• PubChem CID: 5702909

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.61536
• LogD (pH = 7.4): 9.61536
• Log P: 9.61536
• Molar Refractivity: 69.8678 cm^3
• Polarizability: 26.797903 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 195°C
• Density: 1.766

Safety Information

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

Product Information

• Purity: 99%

DETAILS

Apollo Scientific Ltd - PC1263

Gas-carrier for biomedical applications, Jan Reiss et al., Nouveau Journal de Chimie, 8(4), 251, (1984).