HCID21262802

2-(4-Fluorophenyl)-2-methylpropan-1-ol

C10H13FO168.21 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(CO)c1ccc(F)cc1
InChIKey: UEFRKBRDXHUWMJ-UHFFFAOYSA-N
分子式: C10H13FO
平均分子量: 168.21 g/mol
单同位素质量: 168.0950432

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 20.2 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 137

ALIASES

名称与别名

共 8 条

2-(4-fluorophenyl)-2-methylpropan-1-olSCHEMBL186541SCHEMBL9686869SCHEMBL16877052SCHEMBL16877053UEFRKBRDXHUWMJ-UHFFFAOYSA-N2-(4-fluoro-phenyl)-2-methyl-propan-1-olEN300-1827421

REACTIONS

参与反应

10 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID170207

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID511680

uspto-grants-2015_08

作为反应物

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09096634B2

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HRID570677

uspto-grants-2015_05

作为反应物

uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09023864B2

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HRID802153

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物

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

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HRID885171

uspto-grants-2012_08

作为反应物

uspto-grants-2012_08 · 10.6084/m9.figshare.5104873.v1 · US08242153B2

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HRID1026121

uspto-grants-2014_05

作为反应物

uspto-grants-2014_05 · 10.6084/m9.figshare.5104873.v1 · US08729113B2

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HRID1562736

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

作为反应物

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

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HRID1807906

uspto-grants-2013_01

作为反应物

uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357712B2

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