2,2,3,5,5,6,8,8,9-nonafluoro-3,6,9-tris(trifluoromethyl)-1,4,7-trioxonane

• ChemBase编号: 97488
• 分子式: C9F18O3
• 平均质量: 498.0657576
• 单一同位素质量: 497.95600182
• SMILES: O1C(C(OC(C(OC(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C1(F)OC(F)(F)C(F)(OC(C(OC1(F)F)(F)C(F)(F)F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C9F18O3/c10-1(4(13,14)15)7(22,23)29-3(12,6(19,20)21)9(26,27)30-2(11,5(16,17)18)8(24,25)28-1
• InChIKey: UEXDCEZOKVSKBM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,5,5,6,8,8,9-nonafluoro-3,6,9-tris(trifluoromethyl)-1,4,7-trioxonane
• IUPAC传统名: 2,2,3,5,5,6,8,8,9-nonafluoro-3,6,9-tris(trifluoromethyl)-1,4,7-trioxonane
• 别名: Hexafluoropropylene oxide trimer

登记号

• MDL号: MFCD08458100
• PubChem SID: 162084095
• PubChem CID: 45933646

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 7.16002
• LogD (pH = 7.4): 7.16002
• Log P: 7.16002
• 摩尔折射率: 50.4459 cm^3
• 极化性: 19.749123 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable