{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylidene}({[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl})amine

• ChemBase编号: 96523
• 分子式: C16H7Cl4F6N
• 平均质量: 469.0358992
• 单一同位素质量: 466.92367927
• SMILES: N(=C\c1c(cc(cc1Cl)C(F)(F)F)Cl)/Cc1c(cc(cc1Cl)C(F)(F)F)Cl
• Canonical SMILES: Clc1cc(cc(c1C/N=C/c1c(Cl)cc(cc1Cl)C(F)(F)F)Cl)C(F)(F)F
• InChI: InChI=1S/C16H7Cl4F6N/c17-11-1-7(15(21,22)23)2-12(18)9(11)5-27-6-10-13(19)3-8(4-14(10)20)16(24,25)26/h1-5H,6H2
• InChIKey: OYRMVXDXYFUROV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[2,6-dichloro-4-(trifluoromethyl)phenyl]methylidene}({[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl})amine
• IUPAC传统名: {[2,6-dichloro-4-(trifluoromethyl)phenyl]methylidene}({[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl})amine
• 别名: N-[2,6-dichloro-4-(trifluoromethyl)benzyl]-N-{[2,6-dichloro-4-(trifluoromethyl)phenyl]methylene}amine

登记号

• MDL号: MFCD01934602
• PubChem SID: 162083172
• PubChem CID: 2781651

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 7.817685
• LogD (pH = 7.4): 7.818425
• Log P: 7.8184347
• 摩尔折射率: 95.375 cm^3
• 极化性: 34.651684 Å^3
• 极化表面积: 12.36 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false