CFH
概要
| 表記: | 1,1,1,3,3,3-hexafluoropropan-2-ol |
| 組成式: | C3 H2 F6 O |
| 電荷: | 0 |
| 化学式量: | 168.038 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-hexafluoropropan-2-ol |
| OpenEye OEToolkits | 1.5.0 | 1,1,1,3,3,3-hexafluoropropan-2-ol |
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)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.341 | OC(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 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(F)(F)F)(C(F)(F)F)O |
| InChI | InChI | 1.03 | InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H |
| InChIKey | InChI | 1.03 | BYEAHWXPCBROCE-UHFFFAOYSA-N |
