HCID66969248

Ethyl 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanoate

C15H18F4O4338.29 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(O)(CC(C)c1cccc(F)c1OC)C(F)(F)F
InChIKey: DAPLUWMNMRRQGV-UHFFFAOYSA-N
分子式: C15H18F4O4
平均分子量: 338.29 g/mol
单同位素质量: 338.1141217

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 55.8 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 7
重原子: 23
形式电荷: 0
复杂度: 401

ALIASES

名称与别名

共 3 条

ethyl 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)pentanoateSCHEMBL1261039ethyl 4-(3-fluoro-2-methoxyphenyl)-2-hydroxy-2-(trifluoromethyl)-pentanoate

REACTIONS

相关反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07880042B2

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uspto-grants-2011_02 · 10.6084/m9.figshare.5104873.v1 · US07880042B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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