2-[(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexyl)oxy]-1,1,2,2-tetrafluoroethane-1-sulfonyl fluoride

• ChemBase编号: 99305
• 分子式: C8F17IO3S
• 平均质量: 626.0261244
• 单一同位素质量: 625.8341426
• SMILES: S(=O)(=O)(C(F)(F)C(OC(C(C(C(F)(C(C(F)(F)I)(F)F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F
• InChI: InChI=1S/C8F17IO3S/c9-1(10,3(13,14)5(17,18)26)2(11,12)4(15,16)6(19,20)29-7(21,22)8(23,24)30(25,27)28
• InChIKey: WMGJCXNIUILZCW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexyl)oxy]-1,1,2,2-tetrafluoroethane-1-sulfonyl fluoride
• IUPAC传统名: 2-[(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexyl)oxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
• 别名: 2-[(1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodohexyl)oxy]-1,1,2,2-tetrafluoroethanesulphonyl fluoride; 9-Iodoperfluoro-3-oxanonanesulphonyl fluoride

登记号

• CAS号: 67990-77-6
• PubChem SID: 162085584
• PubChem CID: 11204387

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.0337
• LogD (pH = 7.4): 7.0337
• Log P: 7.0337
• 摩尔折射率: 65.728 cm^3
• 极化性: 26.69127 Å^3
• 极化表面积: 43.37 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