M5Y
概要
| 表記: | 1-(2,4-difluorophenyl)methanamine |
| 組成式: | C7 H7 F2 N |
| 電荷: | 0 |
| 化学式量: | 143.134 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-(2,4-difluorophenyl)methanamine |
| OpenEye OEToolkits | 2.0.7 | [2,4-bis(fluoranyl)phenyl]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 | C(c1ccc(F)cc1F)N |
| InChI | InChI | 1.03 | InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 |
| InChIKey | InChI | 1.03 | QDZZDVQGBKTLHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | NCc1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)F)CN |
