(heptadecafluorooctyl)(phenyl)iodanium trifluoromethanesulfonate

• ChemBase编号: 8842
• 分子式: C15H5F20IO3S
• 平均质量: 772.135934
• 单一同位素质量: 771.86847742
• SMILES: c1cccc(c1)[I+]C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C([I+]c1ccccc1)(F)F)F.[O-]S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C14H5F17I.CHF3O3S/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)32-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)/q+1;/p-1
• InChIKey: LQSJCHNACSIGQK-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: (heptadecafluorooctyl)(phenyl)iodanium trifluoromethanesulfonate
• IUPAC传统名: (heptadecafluorooctyl)(phenyl)iodanium triflate
• 别名: (Perfluoro-n-octyl)phenyliodonium trifluoromethanesulfonate

登记号

• CAS号: 77758-89-5
• MDL号: MFCD00135120
• PubChem SID: 160972149
• PubChem CID: 2760324

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.839081
• LogD (pH = 7.4): 8.839081
• Log P: 8.839081
• 摩尔折射率: 79.1932 cm^3
• 极化性: 32.512547 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• TSCA收录: false