1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane

• ChemBase编号: 12075
• 分子式: C6H3F11O
• 平均质量: 300.0698552
• 单一同位素质量: 300.00082514
• SMILES: O(CC(C(F)(F)F)(F)F)C(C(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H3F11O/c7-2(4(10,11)12)5(13,14)18-1-3(8,9)6(15,16)17/h2H,1H2
• InChIKey: JOROOXPAFHWVRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane
• IUPAC传统名: 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane
• 别名: 1H,1H,2'H-Perfluorodipropyl ether

登记号

• CAS号: 1000-28-8
• MDL号: MFCD03411203
• PubChem SID: 160975382
• PubChem CID: 2778519

理论计算性质

• Acid pKa: 14.988753
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.8442802
• LogD (pH = 7.4): 3.8442802
• Log P: 3.8442802
• 摩尔折射率: 33.4162 cm^3
• 极化性: 12.718811 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%