HCID66277568

4-(2,2,2-Trifluoro-1-methyl-ethoxy)-aniline

4-(1,1,1-trifluoropropan-2-yloxy)aniline

C9H10F3NO205.18 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(Oc1ccc(N)cc1)C(F)(F)F
InChIKey: LRLUOCMEXLQOGO-UHFFFAOYSA-N
分子式: C9H10F3NO
平均分子量: 205.18 g/mol
单同位素质量: 205.07144843

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 35.3 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 175

ALIASES

名称与别名

共 7 条

4-(2,2,2-trifluoro-1-methyl-ethoxy)-anilineSCHEMBL11433LRLUOCMEXLQOGO-UHFFFAOYSA-NYOYPLVKHEWRKTM-UHFFFAOYSA-NAKOS0156219254-(2,2,2-trifluoro-1-methyl-ethoxy)-phenylamine(rac)-4-(2,2,2-trifluoro-1-methyl-ethoxy)-phenylamine

REACTIONS

参与反应

15 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2013_06 · 10.6084/m9.figshare.5104873.v1 · US08470843B2

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