VVF
概要
| 表記: | 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide |
| 組成式: | C10 H7 F3 N2 O |
| 電荷: | 0 |
| 化学式量: | 228.171 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 | 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-cyano-~{N}-[3-(trifluoromethyl)phenyl]ethanamide |
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 | O=C(Nc1cc(ccc1)C(F)(F)F)CC#N |
| InChI | InChI | 1.06 | InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16) |
| InChIKey | InChI | 1.06 | HYPXSLNQQNLJDY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(NC(=O)CC#N)c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(NC(=O)CC#N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NC(=O)CC#N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)NC(=O)CC#N)C(F)(F)F |
