1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine

• ChemBase编号: 15286
• 分子式: C12F23N
• 平均质量: 595.0983736
• 单一同位素质量: 594.96634807
• SMILES: N1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)C1(C(C(C(C(C1(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F
• Canonical SMILES: FC1(N2C(F)(F)C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)C(F)(F)F
• InChI: InChI=1S/C12F23N/c13-1(10(29,30)31)2(14,15)5(20,21)9(28,6(22,23)3(1,16)17)36-11(32,33)7(24,25)4(18,19)8(26,27)12(36,34)35
• InChIKey: WDWGWHKCNGASHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[1,2,2,3,3,4,5,5,6,6-decafluoro-4-(trifluoromethyl)cyclohexyl]-2,2,3,3,4,4,5,5,6,6-decafluoropiperidine
• IUPAC传统名: FMCP
• 别名: Perfluoro[1-(4-methylcyclohexyl)piperidine]

登记号

• MDL号: MFCD06411482
• PubChem SID: 160978593
• PubChem CID: 121962

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.217932
• LogD (pH = 7.4): 8.217932
• Log P: 8.217932
• 摩尔折射率: 59.223 cm^3
• 极化性: 23.62439 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 183-185°C

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%