(2,3,5,6-tetrafluoro-4-methoxyphenyl)methanol

• ChemBase编号: 96892
• 分子式: C8H6F4O2
• 平均质量: 210.1256528
• 单一同位素质量: 210.03039231
• SMILES: OCc1c(c(c(c(c1F)F)OC)F)F
• Canonical SMILES: COc1c(F)c(F)c(c(c1F)F)CO
• InChI: InChI=1S/C8H6F4O2/c1-14-8-6(11)4(9)3(2-13)5(10)7(8)12/h13H,2H2,1H3
• InChIKey: GJEGXOUIWJIPTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,3,5,6-tetrafluoro-4-methoxyphenyl)methanol
• IUPAC传统名: (2,3,5,6-tetrafluoro-4-methoxyphenyl)methanol
• 别名: 4-Methoxy-2,3,5,6-tetrafluorobenzyl alcohol 98%

登记号

• MDL号: MFCD08741397
• PubChem SID: 162083536
• PubChem CID: 11961895

理论计算性质

• Acid pKa: 13.745254
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.6190325
• LogD (pH = 7.4): 1.6190324
• Log P: 1.6190325
• 摩尔折射率: 40.2027 cm^3
• 极化性: 14.623099 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true