3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione

• ChemBase编号: 266769
• 分子式: C8H6F6O3
• 平均质量: 264.1218592
• 单一同位素质量: 264.02211337
• SMILES: C(=COCC)(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• Canonical SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• InChI: InChI=1S/C8H6F6O3/c1-2-17-3-4(5(15)7(9,10)11)6(16)8(12,13)14/h3H,2H2,1H3
• InChIKey: WMWGQCRNEUZSSV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
• IUPAC传统名: 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione
• 别名: 3-(ethoxymethylidene)-1,1,1,5,5,5-hexafluoropentane-2,4-dione

登记号

• MDL号: MFCD00799532
• PubChem SID: 164322679
• PubChem CID: 13418450

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.9233215
• LogD (pH = 7.4): 2.9233215
• Log P: 2.9233215
• 摩尔折射率: 43.9658 cm^3
• 极化性: 15.750943 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.175

产品相关信息

• 纯度: 95%