1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)ethane-1-sulfonyl fluoride

• ChemBase编号: 99302
• 分子式: C6F13IO3S
• 平均质量: 526.0111116
• 单一同位素质量: 525.84052972
• SMILES: S(=O)(=O)(C(C(OC(C(C(C(F)(I)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(OC(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)F)F
• InChI: InChI=1S/C6F13IO3S/c7-1(8,3(11,12)20)2(9,10)4(13,14)23-5(15,16)6(17,18)24(19,21)22
• InChIKey: LEWYCBRUDUVOLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)ethane-1-sulfonyl fluoride
• IUPAC传统名: 1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4-octafluoro-4-iodobutoxy)ethanesulfonyl fluoride
• 别名: 2-(4-Iodo-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2-tetrafluoroethanesulphonyl fluoride; 7-Iodoperfluoro-3-oxaheptanesulphonyl fluoride

登记号

• CAS号: 67990-76-5
• PubChem SID: 162085582
• PubChem CID: 11038693

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.3647
• LogD (pH = 7.4): 5.3647
• Log P: 5.3647
• 摩尔折射率: 56.392 cm^3
• 极化性: 22.874733 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 87°C/70mm

安全信息

• 保存注意事项: Irritant