Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- C=C(C(=O)N(C)OC)C(F)(F)F
- InChIKey
- FRHINOVVRPHJSH-UHFFFAOYSA-N
- 分子式
- C6H8F3NO2
- 平均分子量
- 183.13 g/mol
- 单同位素质量
- 183.05071298
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 29.5 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 199
ALIASES
名称与别名
2-Propenamide, N-methoxy-N-methyl-2-(trifluoromethyl)-SCHEMBL1550500N-Methoxy-N-methyl-2-trifluoromethyl-acrylamide
REACTIONS
