4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile
CAS N/A MFCD20921572
化学结构图
SMILES: C#CC1=CC(C#N)=C(C=C1N)C(F)(F)F
化学属性
| Mol. Weight | 210.16 |
|---|---|
| Melting Point | 122-123° |
| Mol. Formula | C10H5F3N2 |
别名和识别编码
| Chemical Name | 4-Amino-5-ethynyl-2-(trifluoromethyl)-benzenecarbonitrile |
|---|---|
| Alfabeta Name | AMINOETHYNYLTRIFLUOROMETHYLBENZENECARBONITRILE 452()------ |
| MDL Number | MFCD20921572 |
分类
- {KO} Nitriles
- {KO} Acetylenes
- {KO} Anilines
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
1
Rotatable Bonds
1
LogP
2
