T3J
概要
| 表記: | 1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one |
| 組成式: | C12 H14 F N O2 |
| 電荷: | 0 |
| 化学式量: | 223.243 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-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-(4-fluorophenyl)morpholin-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 | c1(ccc(F)cc1)C2CN(C(C)=O)CCO2 |
| InChI | InChI | 1.03 | InChI=1S/C12H14FNO2/c1-9(15)14-6-7-16-12(8-14)10-2-4-11(13)5-3-10/h2-5,12H,6-8H2,1H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | HUEBTMPZBSOCPP-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCO[C@@H](C1)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCO[CH](C1)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCO[C@H](C1)c2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCOC(C1)c2ccc(cc2)F |
