1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane

• ChemBase编号: 98700
• 分子式: C14F30
• 平均质量: 738.101896
• 单一同位素质量: 737.9520966
• SMILES: FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C14F30/c15-1(11(33,34)35,12(36,37)38)3(17,18)5(21,22)7(25,26)9(29,30)10(31,32)8(27,28)6(23,24)4(19,20)2(16,13(39,40)41)14(42,43)44
• InChIKey: PCEMNVWCINQDOH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
• IUPAC传统名: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-tetracosafluoro-2,11-bis(trifluoromethyl)dodecane
• 别名: Perfluoro-2,11-dimethyldodecane 97%

登记号

• CAS号: 118694-32-9
• MDL号: MFCD00233701
• PubChem SID: 162085084
• PubChem CID: 2776090

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.966103
• LogD (pH = 7.4): 9.966103
• Log P: 9.966103
• 摩尔折射率: 69.4334 cm^3
• 极化性: 27.805798 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant