N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

• ChemBase编号: 93220
• 分子式: C12H10F17NO3S
• 平均质量: 571.2505544
• 单一同位素质量: 571.01099393
• SMILES: S(=O)(=O)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)F)N(CCO)CC
• Canonical SMILES: OCCN(S(=O)(=O)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)CC
• InChI: InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3
• InChIKey: HUFHNYZNTFSKCT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
• IUPAC传统名: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
• 别名: N-Ethyl-N-(2-hydroxyethyl)perfluorooctylsulphonamide; N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide

登记号

• CAS号: 1691-99-2
• MDL号: MFCD00972159
• PubChem SID: 162079905
• PubChem CID: 74322

理论计算性质

• Acid pKa: 15.542736
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 4.96901
• LogD (pH = 7.4): 4.96901
• Log P: 4.96901
• 摩尔折射率: 73.3486 cm^3
• 极化性: 28.613543 Å^3
• 极化表面积: 57.61 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant

产品相关信息

• 纯度: 95+%