(3,4,5-trifluorophenyl)hydrazine

• ChemBase编号: 285719
• 分子式: C6H5F3N2
• 平均质量: 162.1125096
• 单一同位素质量: 162.04048283
• SMILES: c1(c(cc(cc1F)NN)F)F
• Canonical SMILES: NNc1cc(F)c(c(c1)F)F
• InChI: InChI=1S/C6H5F3N2/c7-4-1-3(11-10)2-5(8)6(4)9/h1-2,11H,10H2
• InChIKey: XBHDRYVDGKJDJL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3,4,5-trifluorophenyl)hydrazine
• IUPAC传统名: (3,4,5-trifluorophenyl)hydrazine
• 别名: (3,4,5-trifluorophenyl)hydrazine

登记号

• MDL号: MFCD17227076
• PubChem SID: 180671250
• PubChem CID: 53420284

理论计算性质

• Acid pKa: 19.046413
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.6848356
• LogD (pH = 7.4): 1.7914505
• Log P: 1.7929943
• 摩尔折射率: 36.4139 cm^3
• 极化性: 12.217401 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.999

产品相关信息

• 纯度: 95%