Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- OCCC(c1ccc(F)cc1)c1ccc(F)cc1
- InChIKey
- VRFPSLNRUWARLO-UHFFFAOYSA-N
- 分子式
- C15H14F2O
- 平均分子量
- 248.27 g/mol
- 单同位素质量
- 248.10127139
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 20.2 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 4
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 209
ALIASES
名称与别名
SCHEMBL36374723,3-Bis(4-fluorophenyl)propanolVRFPSLNRUWARLO-UHFFFAOYSA-N3,3-bis(4-fluorophenyl)-1-propanol3,3-bis(4-fluorophenyl)propan-1-ol
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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uspto-grants-1993_11 · 10.6084/m9.figshare.5104873.v1 · US05262418
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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uspto-grants-1990_04 · 10.6084/m9.figshare.5104873.v1 · US04918073
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uspto-grants-1990_04 · 10.6084/m9.figshare.5104873.v1 · US04918073
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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08324396B2
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