B7F
概要
| 表記: | 2,2,3,3,4,4,4-heptafluorobutan-1-ol |
| 組成式: | C4 H3 F7 O |
| 電荷: | 0 |
| 化学式量: | 200.055 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 | 2,2,3,3,4,4,4-heptafluorobutan-1-ol |
| OpenEye OEToolkits | 2.0.7 | 2,2,3,3,4,4,4-heptakis(fluoranyl)butan-1-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 | 12.01 | FC(F)(F)C(F)(F)C(F)(F)CO |
| InChI | InChI | 1.03 | InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 |
| InChIKey | InChI | 1.03 | WXJFKAZDSQLPBX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(F)(F)C(F)(F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | OCC(F)(F)C(F)(F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C(C(C(F)(F)F)(F)F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(C(C(F)(F)F)(F)F)(F)F)O |
