1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(4-iodobutyl)cyclohexane

• ChemBase编号: 15269
• 分子式: C10H8F11I
• 平均质量: 464.0574252
• 单一同位素质量: 463.94950868
• SMILES: C1(C(C(C(C(C1(F)F)(CCCCI)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCCCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H8F11I/c11-5(3-1-2-4-22)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h1-4H2
• InChIKey: YPCPYZKAISYTCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(4-iodobutyl)cyclohexane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(4-iodobutyl)cyclohexane
• 别名: (4-Iodobutyl)perfluorocyclohexane

登记号

• MDL号: MFCD06247806
• PubChem SID: 160978576
• PubChem CID: 2769659

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.989893
• LogD (pH = 7.4): 5.989893
• Log P: 5.989893
• 摩尔折射率: 59.1865 cm^3
• 极化性: 23.319197 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
• TSCA收录: false

产品相关信息

• 纯度: 97%