(trichloroethenyl)(2-{[4-(trifluoromethyl)pyridin-2-yl]oxy}ethoxy)amine

• ChemBase编号: 96476
• 分子式: C10H8Cl3F3N2O2
• 平均质量: 351.5369296
• 单一同位素质量: 349.96034521
• SMILES: n1c(cc(cc1)C(F)(F)F)OCCONC(=C(Cl)Cl)Cl
• Canonical SMILES: ClC(=C(Cl)Cl)NOCCOc1nccc(c1)C(F)(F)F
• InChI: InChI=1S/C10H8Cl3F3N2O2/c11-8(12)9(13)18-20-4-3-19-7-5-6(1-2-17-7)10(14,15)16/h1-2,5,18H,3-4H2
• InChIKey: KPLUFKUFKJGLER-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (trichloroethenyl)(2-{[4-(trifluoromethyl)pyridin-2-yl]oxy}ethoxy)amine
• IUPAC传统名: (trichloroethenyl)(2-{[4-(trifluoromethyl)pyridin-2-yl]oxy}ethoxy)amine
• 别名: N-(1,2,2-trichlorovinyl)-O-(2-{[4-(trifluoromethyl)-2-pyridyl]oxy}ethyl)hydroxylamine

登记号

• MDL号: MFCD00174582
• PubChem SID: 162083125
• PubChem CID: 2781569

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.8297174
• LogD (pH = 7.4): 3.830231
• Log P: 3.8302376
• 摩尔折射率: 100.283 cm^3
• 极化性: 26.277832 Å^3
• 极化表面积: 43.38 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true