(7E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene

• ChemBase ID: 9141
• Molecular Formular: C14H15F13
• Molecular Mass: 430.2481416
• Monoisotopic Mass: 430.09661734
• SMILES: C(C(C(C(C(/C=C/CCCCCC)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: CCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H15F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,2-6H2,1H3/b8-7+
• InChIKey: JNMMIYWYYKPWFO-BQYQJAHWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene; 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
• IUPAC Traditional name: (7E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene; 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
• Synonyms: 1-(Perfluorohexyl)oct-1-ene; 1-(Perfluorohexyl)oct-1-ene 95%

Database IDs

• CAS Number: 120464-26-8
• MDL Number: MFCD00042354; MFCD09998183
• PubChem SID: 160972448
• PubChem CID: 5708692

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.970563
• LogD (pH = 7.4): 7.970563
• Log P: 7.970563
• Molar Refractivity: 68.6003 cm^3
• Polarizability: 24.99513 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 95%