1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethane-1-sulfonyl fluoride

• ChemBase编号: 93555
• 分子式: C4F10O3S
• 平均质量: 318.090032
• 单一同位素质量: 317.94084706
• SMILES: O(C(F)(F)C(F)(F)F)C(F)(F)C(S(=O)(=O)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F
• InChI: InChI=1S/C4F10O3S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16
• InChIKey: IRSPIQIRIUYUGF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethane-1-sulfonyl fluoride
• IUPAC传统名: 1,1,2,2-tetrafluoro-2-(pentafluoroethoxy)ethanesulfonyl fluoride
• 别名: Perfluoro(2-ethoxyethane)sulphonyl fluoride

登记号

• CAS号: 67990-78-7
• MDL号: MFCD00155956
• PubChem SID: 162080240
• PubChem CID: 2782567

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.3530805
• LogD (pH = 7.4): 3.3530805
• Log P: 3.3530805
• 摩尔折射率: 34.0813 cm^3
• 极化性: 13.636746 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive/Irritant/Moisture Sensitive