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

• ChemBase编号: 6502
• 分子式: C5H3F9O
• 平均质量: 250.0623488
• 单一同位素质量: 250.0040187
• SMILES: O(CC(F)(F)F)C(C(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(OCC(F)(F)F)(F)F)C(F)(F)F
• InChI: InChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2
• InChIKey: LMRGTZDDPWGCGL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
• IUPAC传统名: 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane
• 别名: 1,1,2,3,3,3-Hexafluoropropyl 2,2,2-trifluoroethyl ether; 1,1,1,4,4,5,6,6,6-Nonafluoro-3-oxahexane; 1,1,2,3,3,3-Hexafluoropropyl 2,2,2-trifluoroethyl ether 97%

登记号

• CAS号: 993-95-3
• MDL号: MFCD00476468
• PubChem SID: 160969809
• PubChem CID: 2775038

理论计算性质

• Acid pKa: 14.987973
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.1436374
• LogD (pH = 7.4): 3.1436374
• Log P: 3.1436374
• 摩尔折射率: 28.7482 cm^3
• 极化性: 10.804573 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 5
• 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%