HCID21986444

[3-Methyl-5-(4-trifluoromethylphenyl)thien-2-yl]methanol

[3-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methanol

C13H11F3OS272.29 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(-c2ccc(C(F)(F)F)cc2)sc1CO
InChIKey: MFPOCWBQPJPYQJ-UHFFFAOYSA-N
分子式: C13H11F3OS
平均分子量: 272.29 g/mol
单同位素质量: 272.04827063

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 48.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 274

ALIASES

名称与别名

共 5 条

[3-methyl-5-(4-trifluoromethylphenyl)thien-2-yl]methanol476155-39-2SCHEMBL2245501DB-300268(5-(4-(Trifluoromethyl)phenyl)-3-methylthiophen-2-yl)methanol

REACTIONS

相关反应

6 条

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

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US08003648B2

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uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US08003648B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07714008B2

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uspto-grants-2010_05 · 10.6084/m9.figshare.5104873.v1 · US07714008B2

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