BFM
概要
| 表記: | 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid |
| 組成式: | C4 H2 F6 O3 |
| 電荷: | 0 |
| 化学式量: | 212.047 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 | 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | 3,3,3-tris(fluoranyl)-2-oxidanyl-2-(trifluoromethyl)propanoic acid |
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)C(O)(C(=O)O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12) |
| InChIKey | InChI | 1.03 | CMQUGOHGJUTDGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C(O)(C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.370 | OC(=O)C(O)(C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O |
