2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3-dioxolane

• ChemBase编号: 95978
• 分子式: C8H8F8O3
• 平均质量: 304.1345456
• 单一同位素质量: 304.03456988
• SMILES: FC(C(C(F)F)(F)F)(C(COC1OCCO1)(F)F)F
• Canonical SMILES: FC(C(C(C(COC1OCCO1)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H8F8O3/c9-4(10)7(13,14)8(15,16)6(11,12)3-19-5-17-1-2-18-5/h4-5H,1-3H2
• InChIKey: HQDQPOSBNUPLNS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3-dioxolane
• IUPAC传统名: 2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3-dioxolane
• 别名: 2-[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3-dioxolane

登记号

• MDL号: MFCD00101865
• PubChem SID: 162082627
• PubChem CID: 2780753

理论计算性质

• Acid pKa: 19.789547
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.1401806
• LogD (pH = 7.4): 3.1401806
• Log P: 3.1401806
• 摩尔折射率: 41.9338 cm^3
• 极化性: 16.614016 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true