2-[2,2,3,3,4,4,5,5-octafluoro-6-(oxiran-2-yl)hexyl]oxirane

• ChemBase编号: 98897
• 分子式: C10H10F8O2
• 平均质量: 314.1724256
• 单一同位素质量: 314.05530532
• SMILES: O1C(C1)CC(C(C(C(CC1CO1)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(CC1OC1)(F)F)(F)F)(C(CC1OC1)(F)F)F
• InChI: InChI=1S/C10H10F8O2/c11-7(12,1-5-3-19-5)9(15,16)10(17,18)8(13,14)2-6-4-20-6/h5-6H,1-4H2
• InChIKey: KVSHGEMJMXSNTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[2,2,3,3,4,4,5,5-octafluoro-6-(oxiran-2-yl)hexyl]oxirane
• IUPAC传统名: 2-[2,2,3,3,4,4,5,5-octafluoro-6-(oxiran-2-yl)hexyl]oxirane
• 别名: 1,4-Bis(2,3-epoxyprop-1-yl)perfluorobutane; 1,6-Di(oxiran-2-yl)-2,2,3,3,4,4,5,5-octafluorohexane; 2,2'-(2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diyl)dioxirane 97%

登记号

• CAS号: 791-22-0
• MDL号: MFCD01320774
• PubChem SID: 162085232
• PubChem CID: 2736025

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1972353
• LogD (pH = 7.4): 3.1972353
• Log P: 3.1972353
• 摩尔折射率: 47.034 cm^3
• 极化性: 18.527514 Å^3
• 极化表面积: 25.06 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 90°C/1.5mm
• 密度: 1.506
• 折射率: 1.379

安全信息

• 保存注意事项: Irritant