uspto-grants-2015_06 · 10.6084/m9.figshare.5104873.v1 · US09045486B2
查看IDENTITY
结构与身份
- 标准SMILES
- O=CC1(c2ccc(C(F)(F)F)cc2)CCCC1
- InChIKey
- SFLBUWNIEZIWSB-UHFFFAOYSA-N
- 分子式
- C13H13F3O
- 平均分子量
- 242.24 g/mol
- 单同位素质量
- 242.09184952
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 271
ALIASES
名称与别名
1-(4-trifluoromethyl-phenyl)-cyclopentanecarbaldehyde483368-74-71-(4-(Trifluoromethyl)phenyl)cyclopentanecarbaldehyde1-(4-(Trifluoromethyl)phenyl)cyclopentane-1-carbaldehyde1-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbaldehydeSCHEMBL3170202DTXSID201203700A1-424961-[4-(Trifluoromethyl)phenyl]cyclopentanecarboxaldehyde
REACTIONS