nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

• ChemBase编号: 98991
• 分子式: C20F38O3
• 平均质量: 1010.1515216
• 单一同位素质量: 1009.92406622
• SMILES: FC(C(C(C(C(C(C(C(C(C(=O)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C20F38O3/c21-3(22,5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)55)1(59)61-2(60)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(56,57)58
• InChIKey: ZMOVGRSTRJMBKT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
• IUPAC传统名: nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
• 别名: Perfluorodecanoic anhydride 97+%

登记号

• CAS号: 942199-24-8
• PubChem SID: 162085293
• PubChem CID: 45075736

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 13.162421
• LogD (pH = 7.4): 13.162421
• Log P: 13.162421
• 摩尔折射率: 98.7904 cm^3
• 极化性: 40.044147 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Corrosive