Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- FC(F)(F)c1ccc(C2=CCNCC2)cc1
- InChIKey
- GJTLANBQTZXEKL-UHFFFAOYSA-N
- 分子式
- C12H12F3N
- 平均分子量
- 227.22 g/mol
- 单同位素质量
- 227.09218387
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 12 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 262
ALIASES
名称与别名
67259-64-74-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,6-TETRAHYDROPYRIDINE4-(4-(Trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridinePyridine, 1,2,3,6-tetrahydro-4-[4-(trifluoromethyl)phenyl]-starbld0019632SCHEMBL1472528SCHEMBL5584728DTXSID901199942AKOS000205070CS-0304057EN300-1253224-(4-Trifluoromethylphenyl)-1,2,3,6-tetrahydropyridine1,2,3,6-Tetrahydro-4-[4-(trifluoromethyl)phenyl]pyridine4-(4-Trifluoromethyl-phenyl)-1,2,3,6-tetrahydro-pyridine1,2,3,6-tetrahydro-4-(alpha,alpha,alpha-trifluoro-p-tolyl)pyridine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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查看uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915253B2
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