hexadecafluoroadamantane

• ChemBase编号: 94126
• 分子式: C10F16
• 平均质量: 424.0814512
• 单一同位素质量: 423.97445152
• SMILES: FC12C(C3(C(C(C1(F)F)(F)C(C(C3(F)F)(C2(F)F)F)(F)F)(F)F)F)(F)F
• Canonical SMILES: FC12C(F)(F)C3(F)C(C(C2(F)F)(C(C(C1(F)F)(C3(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C10F16/c11-1-5(15,16)2(12)8(21,22)3(13,6(1,17)18)10(25,26)4(14,7(1,19)20)9(2,23)24
• InChIKey: FRZFEPXEUZSBLA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexadecafluoroadamantane
• IUPAC传统名: perfluoroadamantane
• 别名: Hexadecafluoroadamantane; Perfluoroadamantane 99%

登记号

• MDL号: MFCD00971632
• PubChem SID: 162080781
• PubChem CID: 64478

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.5989084
• LogD (pH = 7.4): 4.5989084
• Log P: 4.5989084
• 摩尔折射率: 40.71 cm^3
• 极化性: 17.316717 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant