A1ABA
概要
| 表記: | [2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol |
| 組成式: | C12 H14 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 261.24 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-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]methanol |
| OpenEye OEToolkits | 2.0.7 | [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol |
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 | FC(F)(F)c1cc(CO)c(cc1)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2 |
| InChIKey | InChI | 1.06 | KYVJYGRFMSNHDV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1cc(ccc1N2CCOCC2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OCc1cc(ccc1N2CCOCC2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(F)(F)F)CO)N2CCOCC2 |
