LO6
概要
| 表記: | 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one |
| 組成式: | C9 H15 F2 N O3 |
| 電荷: | 0 |
| 化学式量: | 223.217 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-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 2-[bis(fluoranyl)methoxy]-1-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone |
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(COC(F)F)N1CC(C)OC(C)C1 |
| InChI | InChI | 1.03 | InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+ |
| InChIKey | InChI | 1.03 | KVTKFHLTYQIGCM-KNVOCYPGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CN(C[C@H](C)O1)C(=O)COC(F)F |
| SMILES | CACTVS | 3.385 | C[CH]1CN(C[CH](C)O1)C(=O)COC(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CC(O1)C)C(=O)COC(F)F |
