HCID14365670

2,2,3,3,3-Pentafluoro-1-(3-methoxyphenyl)propan-1-one

C10H7F5O2254.15 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cccc(C(=O)C(F)(F)C(F)(F)F)c1
InChIKey: PBTZQEPFROLIAA-UHFFFAOYSA-N
分子式: C10H7F5O2
平均分子量: 254.15 g/mol
单同位素质量: 254.03662027

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 287

ALIASES

名称与别名

共 10 条

121592-01-62,2,3,3,3-Pentafluoro-1-(3-methoxyphenyl)propan-1-one3'-Methoxy-2,2,3,3,3-pentafluoropropiophenoneC10H7F5O2MFCD151456482,2,3,3,3-Pentafluoro-1-(3-methoxyphenyl)-1-propanoneSCHEMBL105282871-(3-methoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-oneH70140F395189

REACTIONS

参与反应

2 条

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

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uspto-grants-1989_05 · 10.6084/m9.figshare.5104873.v1 · US04835318

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