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

• ChemBase编号: 15270
• 分子式: C8H4F11I
• 平均质量: 436.0042652
• 单一同位素质量: 435.91820855
• SMILES: C1(C(C(C(C(C1(F)F)(CCI)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4F11I/c9-3(1-2-20)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1-2H2
• InChIKey: XFPWYFFENALKQK-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-(2-iodoethyl)cyclohexane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-iodoethyl)cyclohexane
• 别名: (2-Iodoethyl)perfluorocyclohexane

登记号

• MDL号: MFCD06247807
• PubChem SID: 160978577
• PubChem CID: 20029256

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.0279617
• LogD (pH = 7.4): 5.0279617
• Log P: 5.0279617
• 摩尔折射率: 49.9409 cm^3
• 极化性: 20.039356 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 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%