2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxirane

• ChemBase编号: 98740
• 分子式: C10H5F15O
• 平均质量: 426.122148
• 单一同位素质量: 426.01008808
• SMILES: O1CC1CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F
• InChI: InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,1-2H2
• InChIKey: NTCFPSIOLPOKNV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxirane
• IUPAC传统名: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)oxirane
• 别名: 3-(Perfluoro-n-heptyl)propenoxide

登记号

• MDL号: MFCD00082623
• PubChem SID: 162085112
• PubChem CID: 2778502

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.442047
• LogD (pH = 7.4): 5.442047
• Log P: 5.442047
• 摩尔折射率: 48.6236 cm^3
• 极化性: 19.133545 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 密度: 1.715
• 折射率: 1.318

安全信息

• 保存注意事项: Irritant