1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoroundecane

• ChemBase编号: 100849
• 分子式: C11HF23
• 平均质量: 570.0889136
• 单一同位素质量: 569.97109909
• SMILES: FC(C(F)(F)C(F)(F)F)(F)C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(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)(F)F)F
• InChI: InChI=1S/C11HF23/c12-1(13)2(14,15)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)34/h1H
• InChIKey: JVCGTOWAALQOTL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoroundecane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoroundecane
• 别名: 1H-Perfluoroundecane 97%

登记号

• CAS号: 66256-53-9
• MDL号: MFCD08458170
• PubChem SID: 162086655
• PubChem CID: 19741781

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.8987412
• LogD (pH = 7.4): 7.8987412
• Log P: 7.8987412
• 摩尔折射率: 53.9915 cm^3
• 极化性: 21.846422 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant