YWK
概要
| 表記: | pentafluoropropanoic acid |
| 組成式: | C3 H F5 O2 |
| 電荷: | 0 |
| 化学式量: | 164.031 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 | pentafluoropropanoic acid |
| OpenEye OEToolkits | 2.0.7 | 2,2,3,3,3-pentakis(fluoranyl)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(F)(F)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10) |
| InChIKey | InChI | 1.06 | LRMSQVBRUNSOJL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OC(=O)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(=O)(C(C(F)(F)F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(=O)(C(C(F)(F)F)(F)F)O |
