1,2,3,4,5-pentafluoro-6-(1,1,2,3,3,3-hexafluoropropoxy)benzene

• ChemBase编号: 15268
• 分子式: C9HF11O
• 平均质量: 334.0860752
• 单一同位素质量: 333.98517507
• SMILES: c1(c(c(c(c(c1F)OC(C(C(F)(F)F)F)(F)F)F)F)F)F
• Canonical SMILES: FC(C(Oc1c(F)c(F)c(c(c1F)F)F)(F)F)C(F)(F)F
• InChI: InChI=1S/C9HF11O/c10-1-2(11)4(13)6(5(14)3(1)12)21-9(19,20)7(15)8(16,17)18/h7H
• InChIKey: FTDFREVZBJMTTE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3,3-hexafluoropropoxy)benzene
• IUPAC传统名: 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3,3-hexafluoropropoxy)benzene
• 别名: (1,1,2,3,3,3-Hexafluoropropoxy)-perfluorobenzene

登记号

• MDL号: MFCD06249826
• PubChem SID: 160978575
• PubChem CID: 2769658

理论计算性质

• Acid pKa: 14.949487
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.593076
• LogD (pH = 7.4): 4.5930758
• Log P: 4.593076
• 摩尔折射率: 43.8888 cm^3
• 极化性: 16.040369 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 97%