2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane

• ChemBase编号: 99301
• 分子式: C6HF11O
• 平均质量: 298.0539752
• 单一同位素质量: 297.98517507
• SMILES: O1C(C1(F)F)(C(F)(F)C(F)(C(F)(C(F)F)F)F)F
• Canonical SMILES: FC(C(C(C(C1(F)OC1(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6HF11O/c7-1(8)2(9,10)3(11,12)4(13,14)5(15)6(16,17)18-5/h1H
• InChIKey: HEOHDUODTKFWBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
• IUPAC传统名: 2,2,3-trifluoro-3-(1,1,2,2,3,3,4,4-octafluorobutyl)oxirane
• 别名: 6H-Perfluoro-1,2-epoxyhexane; 6H-Perfluorohexyl-1,2-epoxide

登记号

• MDL号: MFCD00171465
• PubChem SID: 162085581
• PubChem CID: 2776161

理论计算性质

• Acid pKa: 19.786924
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.999841
• LogD (pH = 7.4): 3.999841
• Log P: 3.999841
• 摩尔折射率: 29.9296 cm^3
• 极化性: 12.14629 Å^3
• 极化表面积: 12.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 74-75°C

安全信息

• 保存注意事项: Irritant