2-methyl-5-(trifluoromethyl)furan

• ChemBase编号: 174390
• 分子式: C6H5F3O
• 平均质量: 150.0985096
• 单一同位素质量: 150.02924944
• SMILES: c1cc(oc1C)C(F)(F)F
• Canonical SMILES: FC(c1ccc(o1)C)(F)F
• InChI: InChI=1S/C6H5F3O/c1-4-2-3-5(10-4)6(7,8)9/h2-3H,1H3
• InChIKey: DYXDJGFXCAAAHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-5-(trifluoromethyl)furan
• IUPAC传统名: 2-methyl-5-(trifluoromethyl)furan
• 别名: 2-Methyl-5-(trifluoromethyl)furan

登记号

• CAS号: 17515-75-2
• PubChem SID: 164230300
• PubChem CID: 10953688

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.1109023
• LogD (pH = 7.4): 2.1109023
• Log P: 2.1109023
• 摩尔折射率: 29.5723 cm^3
• 极化性: 10.388305 Å^3
• 极化表面积: 13.14 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M330870

Trifluoromethyl furan derivative.

参考文献

• Aubert, C., et al.: J. Fluorine Chem., 44, 361 (1989)