O-{[4-(trifluoromethyl)phenyl]methyl}hydroxylamine

• ChemBase编号: 241736
• 分子式: C8H8F3NO
• 平均质量: 191.1504296
• 单一同位素质量: 191.05579854
• SMILES: C(c1ccc(cc1)CON)(F)(F)F
• Canonical SMILES: NOCc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C8H8F3NO/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4H,5,12H2
• InChIKey: OSGYPUBYTWDYMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: O-{[4-(trifluoromethyl)phenyl]methyl}hydroxylamine
• IUPAC传统名: O-{[4-(trifluoromethyl)phenyl]methyl}hydroxylamine
• 别名: O-{[4-(trifluoromethyl)phenyl]methyl}hydroxylamine

登记号

• MDL号: MFCD21641882
• PubChem SID: 164297646
• PubChem CID: 2737778

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.225717
• LogD (pH = 7.4): 2.239606
• Log P: 2.239786
• 摩尔折射率: 42.9173 cm^3
• 极化性: 15.569482 Å^3
• 极化表面积: 35.25 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.598

产品相关信息

• 纯度: 95%