ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

• ChemBase编号: 94802
• 分子式: C11H3F17O2
• 平均质量: 490.1131744
• 单一同位素质量: 489.98615908
• SMILES: FC(C(C(C(C(C(C(C(C(=O)OC=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H3F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1H2
• InChIKey: PQEMXLVPFPSANM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• IUPAC传统名: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• 别名: Vinyl perfluorononanoate

登记号

• MDL号: MFCD00078320
• PubChem SID: 162081456
• PubChem CID: 2778085

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.4640503
• LogD (pH = 7.4): 6.4640503
• Log P: 6.4640503
• 摩尔折射率: 54.7912 cm^3
• 极化性: 21.692743 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant