potassium 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonate

• ChemBase编号: 93664
• 分子式: C7F15KO5S
• 平均质量: 520.211248
• 单一同位素质量: 519.88639908
• SMILES: O(C(C(F)(F)F)(F)C(F)(F)OC(C(F)(F)F)(F)F)C(F)(F)C(S(=O)(=O)[O-])(F)F.[K+]
• Canonical SMILES: FC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)OC(C(S(=O)(=O)[O-])(F)F)(F)F.[K+]
• InChI: InChI=1S/C7HF15O5S.K/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25;/h(H,23,24,25);/q;+1/p-1
• InChIKey: XIICCSXABGIGJL-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonate
• IUPAC传统名: potassium ion 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethanesulfonate
• 别名: Potassium perfluoro(4-methyl-3,6-dioxooctane)sulphonate

登记号

• MDL号: MFCD00155781
• PubChem SID: 162080349
• PubChem CID: 23671509

理论计算性质

• Acid pKa: -3.3269286
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.885548
• LogD (pH = 7.4): 2.885548
• Log P: 2.929162
• 摩尔折射率: 50.8382 cm^3
• 极化性: 20.571457 Å^3
• 极化表面积: 75.66 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant