1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(pentafluoroethyl)-6,7-bis(trifluoromethyl)-decahydronaphthalene

• ChemBase编号: 94127
• 分子式: C14F26
• 平均质量: 662.1082832
• 单一同位素质量: 661.95848372
• SMILES: FC12C(C(C(C(C1(F)C(F)(C(C(C2(F)C(C(F)(F)F)(F)F)(F)C(F)(F)F)(F)C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C1(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(C2(C1(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14F26/c15-1(9(26,27)14(38,39)40)2(16)4(18,8(24,25)11(30,31)10(28,29)7(2,22)23)6(20,21)5(19,13(35,36)37)3(1,17)12(32,33)34
• InChIKey: YSROAMWJNUETQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(pentafluoroethyl)-6,7-bis(trifluoromethyl)-decahydronaphthalene
• IUPAC传统名: 1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(pentafluoroethyl)-6,7-bis(trifluoromethyl)naphthalene
• 别名: Perfluoro(ethyldimethyldecalin) (mixed isomers) 97%

登记号

• MDL号: MFCD09258990
• PubChem SID: 162080782
• PubChem CID: 2776112

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.8202477
• LogD (pH = 7.4): 7.8202477
• Log P: 7.8202477
• 摩尔折射率: 63.1893 cm^3
• 极化性: 25.924992 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant