TTF
概要
| 表記: | 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE |
| 別名: | 2-THENOYLTRIFLUOROACETONE |
| 組成式: | C8 H5 F3 O2 S |
| 電荷: | 0 |
| 化学式量: | 222.184 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 | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
| OpenEye OEToolkits | 1.5.0 | 4,4,4-trifluoro-1-thiophen-2-yl-butane-1,3-dione |
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 | O=C(c1sccc1)CC(=O)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)C(=O)CC(=O)c1sccc1 |
| SMILES | CACTVS | 3.341 | FC(F)(F)C(=O)CC(=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C(=O)CC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)C(=O)CC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2 |
| InChIKey | InChI | 1.03 | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
