4-hydrazinyl-6-(trifluoromethyl)quinoline

• ChemBase编号: 93717
• 分子式: C10H8F3N3
• 平均质量: 227.1858296
• 单一同位素质量: 227.06703193
• SMILES: n1ccc(c2cc(ccc12)C(F)(F)F)NN
• Canonical SMILES: NNc1ccnc2c1cc(cc2)C(F)(F)F
• InChI: InChI=1S/C10H8F3N3/c11-10(12,13)6-1-2-8-7(5-6)9(16-14)3-4-15-8/h1-5H,14H2,(H,15,16)
• InChIKey: UQTCZKQPNYYCTL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-6-(trifluoromethyl)quinoline
• IUPAC传统名: 4-hydrazinyl-6-(trifluoromethyl)quinoline
• 别名: 4-Hydrazino-6-(trifluoromethyl)quinoline; 4-hydrazinyl-6-(trifluoromethyl)quinoline

登记号

• PubChem SID: 162104895
• PubChem CID: 17039908

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.7187212
• LogD (pH = 7.4): 2.3765852
• Log P: 2.4003916
• 摩尔折射率: 55.6597 cm^3
• 极化性: 20.511578 Å^3
• 极化表面积: 50.94 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant/Air Sensitive/Store Cold