YQF
概要
| 表記: | 4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one |
| 組成式: | C15 H17 F4 N O |
| 電荷: | 0 |
| 化学式量: | 303.295 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C15H17F4NO/c16-13-3-1-11(2-4-13)12-6-9-20(10-7-12)14(21)5-8-15(17,18)19/h1-4,12H,5-10H2 |
| InChIKey | InChI | 1.06 | ITAKDOUYMNISSA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)C2CCN(CC2)C(=O)CCC(F)(F)F |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)C2CCN(CC2)C(=O)CCC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCN(CC2)C(=O)CCC(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C2CCN(CC2)C(=O)CCC(F)(F)F)F |
