6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol

• ChemBase编号: 99138
• 分子式: C11H10F13IO
• 平均质量: 532.0802116
• 单一同位素质量: 531.9568798
• SMILES: OCCCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)I
• Canonical SMILES: OCCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2
• InChIKey: FPLJNGUIASXYLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
• IUPAC传统名: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-iodoundecan-1-ol
• 别名: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-4-iodoundecan-1-ol; 4-Iodo-5-(perfluorohexyl)pentan-1-ol 95%

登记号

• CAS号: 132665-00-0
• PubChem SID: 162085431
• PubChem CID: 10875133

理论计算性质

• Acid pKa: 15.973019
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.02361
• LogD (pH = 7.4): 6.02361
• Log P: 6.02361
• 摩尔折射率: 68.3081 cm^3
• 极化性: 26.590887 Å^3
• 极化表面积: 20.23 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