(phenylmethylidene)({[2-(trifluoromethoxy)phenyl]methyl})amine

• ChemBase编号: 96387
• 分子式: C15H12F3NO
• 平均质量: 279.2570896
• 单一同位素质量: 279.08709867
• SMILES: O(c1ccccc1C/N=C/c1ccccc1)C(F)(F)F
• Canonical SMILES: FC(Oc1ccccc1C/N=C/c1ccccc1)(F)F
• InChI: InChI=1S/C15H12F3NO/c16-15(17,18)20-14-9-5-4-8-13(14)11-19-10-12-6-2-1-3-7-12/h1-10H,11H2
• InChIKey: PNKOCCHJMNFZOO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (phenylmethylidene)({[2-(trifluoromethoxy)phenyl]methyl})amine
• IUPAC传统名: (phenylmethylidene)({[2-(trifluoromethoxy)phenyl]methyl})amine
• 别名: N-benzylidene-N-[2-(trifluoromethoxy)benzyl]amine

登记号

• MDL号: MFCD00108826
• PubChem SID: 162083036
• PubChem CID: 2781427

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.94897
• LogD (pH = 7.4): 5.0757885
• Log P: 5.0776706
• 摩尔折射率: 67.2787 cm^3
• 极化性: 26.019367 Å^3
• 极化表面积: 21.59 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false