5WK
概要
| 表記: | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol |
| 組成式: | C11 H8 F4 N2 O |
| 電荷: | 0 |
| 化学式量: | 260.188 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.4 | 2-[5-[1,1,2,2-tetrakis(fluoranyl)ethyl]-1~{H}-pyrazol-3-yl]phenol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C11H8F4N2O/c12-10(13)11(14,15)9-5-7(16-17-9)6-3-1-2-4-8(6)18/h1-5,10,18H,(H,16,17) |
| InChIKey | InChI | 1.03 | AZBWBPKELVSJMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F |
| SMILES | CACTVS | 3.385 | Oc1ccccc1c2cc([nH]n2)C(F)(F)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O |
