HCID13469151

Ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-3-oxopentanoate

ethyl 3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate

C20H19F3O5396.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey: WHISHDWWUNQJFB-UHFFFAOYSA-N
分子式: C20H19F3O5
平均分子量: 396.4 g/mol
单同位素质量: 396.11845819

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 61.8 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 9
重原子: 28
形式电荷: 0
复杂度: 506

ALIASES

名称与别名

共 4 条

ethyl 4-[4-(4-trifluoromethylphenoxy)phenoxy]-3-oxopentanoateSCHEMBL10880352ethyl 4-[4-(4-trifluoromethylphenoxy) phenoxy]-3-oxopentanoateethyl 4-[4-(4trifluoromethylphenoxy) phenoxy]-3-oxopentanoate

REACTIONS

参与反应

13 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-1985_07 · 10.6084/m9.figshare.5104873.v1 · US04529438

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uspto-grants-1985_07 · 10.6084/m9.figshare.5104873.v1 · US04529438

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uspto-grants-1985_02 · 10.6084/m9.figshare.5104873.v1 · US04499271

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uspto-grants-1985_12 · 10.6084/m9.figshare.5104873.v1 · US04561882

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uspto-grants-1983_10 · 10.6084/m9.figshare.5104873.v1 · US04408076

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uspto-grants-1983_10 · 10.6084/m9.figshare.5104873.v1 · US04408076

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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