1,1,2,2-tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane

• ChemBase编号: 100861
• 分子式: C6F14O3
• 平均质量: 386.0400448
• 单一同位素质量: 385.96238894
• SMILES: O(C(F)(F)F)C(F)(F)C(F)(F)OC(C(OC(F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(OC(F)(F)F)(F)F)(OC(C(OC(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6F14O3/c7-1(8,3(11,12)22-5(15,16)17)21-2(9,10)4(13,14)23-6(18,19)20
• InChIKey: YSGKVOMJRCQYMT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2-tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane
• IUPAC传统名: 1,1,2,2-tetrafluoro-1-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]-2-(trifluoromethoxy)ethane
• 别名: Perfluoro(diethylene glycol dimethyl ether); Perfluorodiglyme 98%

登记号

• CAS号: 40891-99-4
• MDL号: MFCD08458175
• PubChem SID: 162086967
• PubChem CID: 13511073

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.600719
• LogD (pH = 7.4): 6.600719
• Log P: 6.600719
• 摩尔折射率: 30.5741 cm^3
• 极化性: 14.931382 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 66°C

安全信息

• 保存注意事项: Irritant