1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane

• ChemBase编号: 100606
• 分子式: C9F20O
• 平均质量: 504.063764
• 单一同位素质量: 503.96297902
• SMILES: O(C(F)(F)C(C(F)(F)F)(F)C(F)(F)F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F
• Canonical SMILES: FC(C(C(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• InChI: InChI=1S/C9F20O/c10-1(5(17,18)19,6(20,21)22)8(26,27)30-9(28,29)4(15,16)2(11,12)3(13,14)7(23,24)25
• InChIKey: ODWOZMSHTDFDFA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane
• 别名: Perfluoro-2-trifluoromethyl-4-oxanonane 97%

登记号

• MDL号: MFCD00345544
• PubChem SID: 162087348
• PubChem CID: 2776387

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.9725695
• LogD (pH = 7.4): 6.9725695
• Log P: 6.9725695
• 摩尔折射率: 48.657 cm^3
• 极化性: 19.037565 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant