FAC
概要
| 表記: | 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL |
| 別名: | HEXAFLUOROACETONE HYDRATE |
| 組成式: | C3 H2 F6 O2 |
| 電荷: | 0 |
| 化学式量: | 184.037 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 | 1,1,1,3,3,3-hexafluoropropane-2,2-diol |
| OpenEye OEToolkits | 1.5.0 | 1,1,1,3,3,3-hexafluoropropane-2,2-diol |
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)C(O)(O)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(O)(C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.341 | OC(O)(C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(F)(F)F)(C(F)(F)F)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(F)(F)F)(C(F)(F)F)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H |
| InChIKey | InChI | 1.03 | AKVXSYUWYXOLMY-UHFFFAOYSA-N |
