1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene

• ChemBase ID: 98757
• Molecular Formular: C16H19F13
• Molecular Mass: 458.3013016
• Monoisotopic Mass: 458.12791747
• SMILES: FC(C(C(C(C(C(/C=C/CCCCCCCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: CCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3
• InChIKey: UFXJXRIUXCGTRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
• Synonyms: 1-(Perfluorohexyl)dec-1-ene 95%

Database IDs

• MDL Number: MFCD00042350
• PubChem SID: 162085126
• PubChem CID: 5708691

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.8597
• LogD (pH = 7.4): 8.8597
• Log P: 8.8597
• Molar Refractivity: 77.8023 cm^3
• Polarizability: 28.39588 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant