1,1,1,3,3-pentafluoro-3-methoxy-2-(trifluoromethyl)propane

• ChemBase编号: 7019
• 分子式: C5H4F8O
• 平均质量: 232.0718856
• 单一同位素质量: 232.01344051
• SMILES: C(C(C(F)(F)F)C(OC)(F)F)(F)(F)F
• Canonical SMILES: COC(C(C(F)(F)F)C(F)(F)F)(F)F
• InChI: InChI=1S/C5H4F8O/c1-14-5(12,13)2(3(6,7)8)4(9,10)11/h2H,1H3
• InChIKey: AQHKYFLVHBIQMS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,3,3-pentafluoro-3-methoxy-2-(trifluoromethyl)propane
• IUPAC传统名: 1,1,1,3,3-pentafluoro-3-methoxy-2-(trifluoromethyl)propane
• 别名: Methyl 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)-propyl ether; 2-[Difluoro(methoxy)methyl]-1,1,1,3,3,3-hexafluoropropane; 1,1,1,3,3-Pentafluoro-2-(trifluoromethyl)-4-oxapentane; Methyl 2H-pentafluoro-2-(trifluoromethyl)propyl ether 97%

登记号

• CAS号: 382-26-3
• MDL号: MFCD00054689
• PubChem SID: 160970326
• PubChem CID: 45459

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.795153
• LogD (pH = 7.4): 2.795153
• Log P: 2.795153
• 摩尔折射率: 29.0352 cm^3
• 极化性: 10.646197 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

理化性质

• 沸点: 68-74°C
• 密度: 1.493
• 折射率: 1.283; 1.284

安全信息

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

产品相关信息

• 纯度: 97%