4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopentan-1-ol

• ChemBase编号: 93582
• 分子式: C8H6F11IO2
• 平均质量: 470.0189452
• 单一同位素质量: 469.92368785
• SMILES: O(C(F)(F)C(C(F)(F)F)(F)F)C(CC(CO)I)(F)C(F)(F)F
• Canonical SMILES: OCC(CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)I
• InChI: InChI=1S/C8H6F11IO2/c9-4(6(12,13)14,1-3(20)2-21)22-8(18,19)5(10,11)7(15,16)17/h3,21H,1-2H2
• InChIKey: KTYLJFSUYIBRHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopentan-1-ol
• IUPAC传统名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopentan-1-ol
• 别名: 4,5,5,5-tetrafluoro-4-(heptafluoroprop-1-oxy)-2-Iodopentan-1-ol

登记号

• MDL号: MFCD04039186
• PubChem SID: 162080267
• PubChem CID: 2782592

理论计算性质

• Acid pKa: 14.608109
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.9524364
• LogD (pH = 7.4): 4.9524364
• Log P: 4.9524364
• 摩尔折射率: 57.0184 cm^3
• 极化性: 22.26614 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant