heptadecafluorooctane-1-sulfonamide

• ChemBase编号: 98810
• 分子式: C8H2F17NO2S
• 平均质量: 499.1448344
• 单一同位素质量: 498.95347905
• SMILES: FC(C(C(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)
• InChIKey: RRRXPPIDPYTNJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptadecafluorooctane-1-sulfonamide
• IUPAC传统名: perfluorooctanesulfonamide
• 别名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulphonamide; Perfluorooctanesulphonamide; Perfluoroctylsulfonamide; Perfluorooctane sulfonamide; Heptadecafluorooctanesulphonamide; Perfluorooctanesulfonic acid amide; Deethylsulfluramie; FC-99; Perfluorooctanesulfonamide

登记号

• CAS号: 754-91-6
• EC号: 212-046-0
• MDL号: MFCD03094345
• PubChem SID: 162085175
• PubChem CID: 69785
• CHEMBL: 1087375
• Chemspider ID: 62984
• 维基百科标题: Perfluorooctanesulfonamide

理论计算性质

• Acid pKa: 3.36632
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.9359546
• LogD (pH = 7.4): 3.9123197
• Log P: 4.854952
• 摩尔折射率: 52.5143 cm^3
• 极化性: 21.392765 Å^3
• 极化表面积: 60.16 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant
• 安全公开号: R