2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7,10-tetraoxacyclododecane hydrofluoride

• ChemBase编号: 94906
• 分子式: C12HF25O4
• 平均质量: 684.09402
• 单一同位素质量: 683.94756401
• SMILES: O1C(C(OC(C(OC(C(OC(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F.F
• Canonical SMILES: FC(C1(F)OC(F)(F)C(F)(OC(F)(F)C(OC(C(OC1(F)F)(F)C(F)(F)F)(F)F)(F)C(F)(F)F)C(F)(F)F)(F)F.F
• InChI: InChI=1S/C12F24O4.FH/c13-1(5(17,18)19)9(29,30)38-3(15,7(23,24)25)11(33,34)40-4(16,8(26,27)28)12(35,36)39-2(14,6(20,21)22)10(31,32)37-1;/h;1H
• InChIKey: SLEHBJOMTZGQPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7,10-tetraoxacyclododecane hydrofluoride
• IUPAC传统名: 2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7,10-tetraoxacyclododecane hydrofluoride
• 别名: Hexafluoropropylene oxide tetramer acid fluoride

登记号

• MDL号: MFCD08458070
• PubChem SID: 162081560
• PubChem CID: 45933610

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 9.546693
• LogD (pH = 7.4): 9.546693
• Log P: 9.546693
• 摩尔折射率: 67.2612 cm^3
• 极化性: 26.332163 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false