pentafluoroprop-2-en-1-yl fluoranesulfonate

• ChemBase编号: 97060
• 分子式: C3F6O3S
• 平均质量: 230.0857192
• 单一同位素质量: 229.94723418
• SMILES: O(C(F)(F)C(=C(F)F)F)S(=O)(=O)F
• Canonical SMILES: FC(=C(C(OS(=O)(=O)F)(F)F)F)F
• InChI: InChI=1S/C3F6O3S/c4-1(2(5)6)3(7,8)12-13(9,10)11
• InChIKey: LIZZWVXXYAALGG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentafluoroprop-2-en-1-yl fluoranesulfonate
• IUPAC传统名: pentafluoroprop-2-en-1-yl fluoranesulfonate
• 别名: Pentafluoroallyl fluorosulphate

登记号

• MDL号: MFCD02093345
• PubChem SID: 162083687
• PubChem CID: 2776028

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.5481745
• LogD (pH = 7.4): 1.5481745
• Log P: 1.5481745
• 摩尔折射率: 38.175 cm^3
• 极化性: 11.183928 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 63-64°C
• 闪点: none°C

安全信息

• 保存注意事项: Corrosive

详细说明

Apollo Scientific Ltd - PC3858

Nucleophilic displacement of fluorosulphate anion with iodide affords perfluoroallyl iodide, Krespan & England, J. Amer. Chem. Soc., 103, 5598, 1981