ethyl N-methyl-N-{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}carbamate

• ChemBase编号: 796165
• 分子式: C20H22F3NO3
• 平均质量: 381.3887896
• 单一同位素质量: 381.15517823
• SMILES: N(C(=O)OCC)(CCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1)C
• Canonical SMILES: CCOC(=O)N(CCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F)C
• InChI: InChI=1S/C20H22F3NO3/c1-3-26-19(25)24(2)14-13-18(15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)20(21,22)23/h4-12,18H,3,13-14H2,1-2H3
• InChIKey: AUXZZUAGZGDPRQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl N-methyl-N-{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}carbamate
• IUPAC传统名: ethyl N-methyl-N-{3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl}carbamate
• 别名: Ethyl Methyl(3-phenyl-3-(4-(trifluoroMethyl)phenoxy)propyl)carbaMate

登记号

• CAS号: 204704-95-0

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.759261
• LogD (pH = 7.4): 4.759261
• Log P: 4.759261
• 摩尔折射率: 96.3056 cm^3
• 极化性: 36.421356 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 97%