WNP
概要
| 表記: | N-(3-chlorophenyl)-2,2,2-trifluoroacetamide |
| 組成式: | C8 H5 Cl F3 N O |
| 電荷: | 0 |
| 化学式量: | 223.58 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 | N-(3-chlorophenyl)-2,2,2-trifluoroacetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2,2,2-tris(fluoranyl)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 | c1cc(NC(C(F)(F)F)=O)cc(c1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14) |
| InChIKey | InChI | 1.03 | VRKVCIVKSRGSLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)C(=O)Nc1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)C(=O)Nc1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)NC(=O)C(F)(F)F |
