O1X
概要
| 表記: | (2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
| 組成式: | C10 H12 F2 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 230.211 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 | (2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[bis(fluoranyl)methoxy]-~{N}-(4-methylpyridin-3-yl)propanamide |
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(Nc1cnccc1C)C(C)OC(F)F |
| InChI | InChI | 1.06 | InChI=1S/C10H12F2N2O2/c1-6-3-4-13-5-8(6)14-9(15)7(2)16-10(11)12/h3-5,7,10H,1-2H3,(H,14,15)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | XVSORZZOZIKMAO-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](OC(F)F)C(=O)Nc1cnccc1C |
| SMILES | CACTVS | 3.385 | C[CH](OC(F)F)C(=O)Nc1cnccc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)OC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)OC(F)F |
