[2-fluoro-5-(trifluoromethyl)phenyl]hydrazine

• ChemBase编号: 242811
• 分子式: C7H6F4N2
• 平均质量: 194.1295528
• 单一同位素质量: 194.04671108
• SMILES: C(c1cc(c(cc1)F)NN)(F)(F)F
• Canonical SMILES: NNc1cc(ccc1F)C(F)(F)F
• InChI: InChI=1S/C7H6F4N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3,13H,12H2
• InChIKey: NHTBGXJERDIJGP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine
• IUPAC传统名: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine
• 别名: [2-fluoro-5-(trifluoromethyl)phenyl]hydrazine; (2-Fluoro-5-trifluoromethyl-phenyl)-hydrazine

登记号

• CAS号: 1093059-58-5
• MDL号: MFCD09997744
• PubChem SID: 164298721
• PubChem CID: 51358476

理论计算性质

• Acid pKa: 15.900446
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.3079808
• LogD (pH = 7.4): 2.3843725
• Log P: 2.385439
• 摩尔折射率: 41.9548 cm^3
• 极化性: 13.997319 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.926

产品相关信息

• 纯度: 95%; 96%