ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

• ChemBase编号: 98297
• 分子式: C9H3F13O2
• 平均质量: 390.0981616
• 单一同位素质量: 389.9925462
• SMILES: O(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=C
• Canonical SMILES: C=COC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H3F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H,1H2
• InChIKey: ADYNCUBVNWLXQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• IUPAC传统名: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• 别名: Vinyl perfluoroheptanoate

登记号

• MDL号: MFCD00078426
• PubChem SID: 162084743
• PubChem CID: 2778082

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.062765
• LogD (pH = 7.4): 5.062765
• Log P: 5.062765
• 摩尔折射率: 45.4552 cm^3
• 极化性: 17.878511 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant