1,1,2,2,3,3,4,5,5,6-decafluoro-4-(heptafluoropropoxy)-6-(pentafluoroethyl)cyclohexane

• ChemBase编号: 12076
• 分子式: C11F22O
• 平均质量: 566.0819704
• 单一同位素质量: 565.95978546
• SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(C(C(F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(OC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11F22O/c12-1(4(17,18)9(26,27)28)2(13,14)5(19,20)6(21,22)8(25,3(1,15)16)34-11(32,33)7(23,24)10(29,30)31
• InChIKey: KJWVJLNGXBWWIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(heptafluoropropoxy)-6-(pentafluoroethyl)cyclohexane
• IUPAC传统名: 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(heptafluoropropoxy)-6-(pentafluoroethyl)cyclohexane
• 别名: Perfluoro(1-ethyl-3-propoxycyclohexane); Perfluoro(1-ethyl-3-propoxycyclohexane) 97%

登记号

• CAS号: 400626-82-6
• MDL号: MFCD03094121
• PubChem SID: 160975383
• PubChem CID: 2776113

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.730151
• LogD (pH = 7.4): 7.730151
• Log P: 7.730151
• 摩尔折射率: 54.4334 cm^3
• 极化性: 21.930302 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%