1DQ
概要
| 表記: | 5-(trifluoromethyl)-1H-imidazole |
| 組成式: | C4 H3 F3 N2 |
| 電荷: | 0 |
| 化学式量: | 136.075 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 5-(trifluoromethyl)-1H-imidazole |
| OpenEye OEToolkits | 1.7.6 | 5-(trifluoromethyl)-1H-imidazole |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | FC(F)(F)c1cncn1 |
| InChI | InChI | 1.03 | InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9) |
| InChIKey | InChI | 1.03 | DFLGRTIPTPCKPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | FC(F)(F)c1[nH]cnc1 |
| SMILES | CACTVS | 3.370 | FC(F)(F)c1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c([nH]cn1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c([nH]cn1)C(F)(F)F |
