HCID24726837

1-(2,4-Difluorophenyl)-2,2,2-trifluoroethanone

C8H3F5O210.1 g/molCAS 886371-05-7

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IDENTITY

结构与身份

标准SMILES: O=C(c1ccc(F)cc1F)C(F)(F)F
InChIKey: JMRMOPRHHLTLDG-UHFFFAOYSA-N
分子式: C8H3F5O
平均分子量: 210.1 g/mol
单同位素质量: 210.01040553

COMPUTED

结构计算性质

等待补全

XLogP: 2.9
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 224

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 17 条

886371-05-71-(2,4-Difluorophenyl)-2,2,2-trifluoroethanone2,2,2,2',4'-PENTAFLUOROACETOPHENONEMFCD022608421-(2,4-DIFLUORO-PHENYL)-2,2,2-TRIFLUORO-ETHANONE1-(2,4-DIFLUOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONESCHEMBL1748151DTXSID90645227AKOS012259561AB11768DB-345130CS-0268887H41431EN300-19291632,2,2-Trifluoro-1-(2,4-difluorophenyl)ethanoneF2070441-(2,4-difluorophenyl)-2,2,2-trifluoro-ethanone

REACTIONS

相关反应

17 条

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

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

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

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

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

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08604021B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08604021B2

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uspto-grants-2013_12 · 10.6084/m9.figshare.5104873.v1 · US08604021B2

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