2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl trifluoromethanesulfonate

• ChemBase编号: 95140
• 分子式: C9H2F18O3S
• 平均质量: 532.1466376
• 单一同位素质量: 531.94372288
• SMILES: O(CC(C(C(C(F)(F)C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)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)(COS(=O)(=O)C(F)(F)F)F
• InChI: InChI=1S/C9H2F18O3S/c10-2(11,1-30-31(28,29)9(25,26)27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H2
• InChIKey: QUAJSEUQBPUVAU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl trifluoromethanesulfonate
• IUPAC传统名: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl trifluoromethanesulfonate
• 别名: 1H,1H-Perfluorooctyl trifluoromethanesulphonate

登记号

• CAS号: 17352-09-9
• MDL号: MFCD07784316
• PubChem SID: 162081790
• PubChem CID: 11016909

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.6849504
• LogD (pH = 7.4): 6.6849504
• Log P: 6.6849504
• 摩尔折射率: 54.9223 cm^3
• 极化性: 22.853165 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false