2,2,3,3,4,4,5,5-octafluoropentyl trifluoromethanesulfonate

• ChemBase编号: 6542
• 分子式: C6H3F11O3S
• 平均质量: 364.1336552
• 单一同位素质量: 363.96272538
• SMILES: FC(F)(S(=O)(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(COS(=O)(=O)C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6H3F11O3S/c7-2(8)4(11,12)5(13,14)3(9,10)1-20-21(18,19)6(15,16)17/h2H,1H2
• InChIKey: STZVWKAVKFQLAU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,5,5-octafluoropentyl trifluoromethanesulfonate
• IUPAC传统名: 2,2,3,3,4,4,5,5-octafluoropentyl trifluoromethanesulfonate
• 别名: 2,2,3,3,4,4,5,5-Octafluoropentyl trifluoromethanesulfonate; 1H,1H,5H-Octafluoropentyl triflate; 1H,1H,5H-Octafluoropentyl trifluoromethanesulphonate 97%

登记号

• CAS号: 17352-10-2
• MDL号: MFCD02093341
• PubChem SID: 160969849
• PubChem CID: 2775891

理论计算性质

• Acid pKa: 19.789526
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.0942616
• LogD (pH = 7.4): 4.0942616
• Log P: 4.0942616
• 摩尔折射率: 40.0286 cm^3
• 极化性: 16.962753 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: true

分子性质

安全信息

• 保存注意事项: TOXIC, CORROSIVE; Toxic/Corrosive
• TSCA收录: false

产品相关信息

• 纯度: 97%