TF5
概要
| 表記: | 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL |
| 組成式: | C14 H11 F3 O2 |
| 電荷: | 0 |
| 化学式量: | 268.231 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 | 2-[(2',3',4'-trifluorobiphenyl-2-yl)oxy]ethanol |
| OpenEye OEToolkits | 1.5.0 | 2-[2-(2,3,4-trifluorophenyl)phenoxy]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 | Fc2ccc(c1ccccc1OCCO)c(F)c2F |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCOc1ccccc1c2ccc(F)c(F)c2F |
| SMILES | CACTVS | 3.341 | OCCOc1ccccc1c2ccc(F)c(F)c2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2ccc(c(c2F)F)F)OCCO |
| InChI | InChI | 1.03 | InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2 |
| InChIKey | InChI | 1.03 | AGXPXFPIOHNDAN-UHFFFAOYSA-N |
