47M
概要
| 表記: | 1-[5-(trifluoromethyl)furan-2-yl]methanamine |
| 組成式: | C6 H6 F3 N O |
| 電荷: | 0 |
| 化学式量: | 165.113 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 | 1-[5-(trifluoromethyl)furan-2-yl]methanamine |
| OpenEye OEToolkits | 1.9.2 | [5-(trifluoromethyl)furan-2-yl]methanamine |
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)c1oc(cc1)CN |
| InChI | InChI | 1.03 | InChI=1S/C6H6F3NO/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2H,3,10H2 |
| InChIKey | InChI | 1.03 | MMOMFJIMQXUJMQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1oc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NCc1oc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(oc1CN)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(oc1CN)C(F)(F)F |
