prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

• ChemBase编号: 100006
• 分子式: C11H5F15O2
• 平均质量: 454.132248
• 单一同位素质量: 454.0050027
• SMILES: O(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)CC=C
• Canonical SMILES: C=CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H5F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2
• InChIKey: DNFFZVPOFBBNHH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• IUPAC传统名: prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• 别名: Allyl perfluorooctanoate

登记号

• MDL号: MFCD00080401
• PubChem SID: 162086247
• PubChem CID: 2735870

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.989983
• LogD (pH = 7.4): 5.989983
• Log P: 5.989983
• 摩尔折射率: 55.5937 cm^3
• 极化性: 21.391342 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