LT5
概要
| 表記: | (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol |
| 別名: | 3-Trifluoromethyl phenylethanolamine |
| 組成式: | C9 H10 F3 N O |
| 電荷: | 0 |
| 化学式量: | 205.177 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol |
| OpenEye OEToolkits | 1.5.0 | (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol |
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 | 10.04 | FC(F)(F)c1cccc(c1)C(O)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | NC[C@H](O)c1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.341 | NC[CH](O)c1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(F)(F)F)[C@H](CN)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(F)(F)F)C(CN)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | RRBRWAPWPGAJMA-QMMMGPOBSA-N |
