tridecafluorohexane-1-sulfonyl fluoride

• ChemBase编号: 98753
• 分子式: C6F14O2S
• 平均质量: 402.1056448
• 单一同位素质量: 401.93954532
• SMILES: FC(C(F)(F)F)(F)C(C(F)(C(F)(F)C(S(=O)(=O)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
• InChIKey: HSDJWNJDPDJOEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tridecafluorohexane-1-sulfonyl fluoride
• IUPAC传统名: tridecafluorohexane-1-sulfonyl fluoride
• 别名: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl fluoride; Perfluorohexanesulphonyl fluoride 97%

登记号

• CAS号: 423-50-7
• MDL号: MFCD00042452
• PubChem SID: 162085122
• PubChem CID: 67918

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.5063496
• LogD (pH = 7.4): 4.5063496
• Log P: 4.5063496
• 摩尔折射率: 40.5796 cm^3
• 极化性: 16.633419 Å^3
• 极化表面积: 34.14 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 110°C
• 闪点: none°C
• 折射率: 1.2918

安全信息

• 保存注意事项: Corrosive