1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane

• ChemBase编号: 8993
• 分子式: C20HF41O6
• 平均质量: 1116.1528712
• 单一同位素质量: 1115.91184477
• SMILES: O(C(C(F)(F)F)F)C(C(OC(C(OC(C(OC(C(OC(C(OC(C(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)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C20HF41O6/c21-1(2(22,23)24)62-16(52,53)4(27,10(35,36)37)64-18(56,57)6(29,12(41,42)43)66-20(60,61)8(31,14(47,48)49)67-19(58,59)7(30,13(44,45)46)65-17(54,55)5(28,11(38,39)40)63-15(50,51)3(25,26)9(32,33)34/h1H
• InChIKey: RPIANCZCOWLFSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane
• IUPAC传统名: 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-hexacosafluoro-5,8,11,14,17-pentakis(trifluoromethyl)-3,6,9,12,15,18-hexaoxahenicosane
• 别名: 2H-全氟-5,8,11,14,17-五甲基-3,6,9,12,15,18-六氧杂廿一烷; 2H-Perfluoro-5,8,11,14,17-pentamethyl-3,6,9,12,15,18-hexaoxahenicosane; Fluoroether E6; 2H-Perfluoro-5,8,11,14,17-pentamethyl-3,6,9,12,15,18-hexaoxaheneicosane; Fluoroether E-6; 2H-Perfluoro(5,8,11,14,17-pentamethyl-3,6,9,12,15,18-hexaoxaeicosane) 95%

登记号

• CAS号: 55154-18-2
• MDL号: MFCD06248658
• PubChem SID: 160972300
• PubChem CID: 123535

理论计算性质

• Acid pKa: 18.865005
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 15.912996
• LogD (pH = 7.4): 15.912996
• Log P: 15.912996
• 摩尔折射率: 112.8713 cm^3
• 极化性: 44.080147 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 25
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -72°C; -72°C
• 沸点: 108-110°C/1mm; 108-110°C/1mm
• 闪点: None
• 密度: 1.796; 1.8

安全信息

• 保存注意事项: Irritant
• TSCA收录: false; 是

产品相关信息

• 纯度: 95%