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

• ChemBase编号: 98757
• 分子式: C16H19F13
• 平均质量: 458.3013016
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexadec-7-ene
• 别名: 1-(Perfluorohexyl)dec-1-ene 95%

登记号

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

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.8597
• LogD (pH = 7.4): 8.8597
• Log P: 8.8597
• 摩尔折射率: 77.8023 cm^3
• 极化性: 28.39588 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant