CF3
概要
| 表記: | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE |
| 組成式: | C15 H18 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 301.304 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 | 9,9,9-trifluoro-8-oxo-N-phenylnonanamide |
| OpenEye OEToolkits | 1.5.0 | 9,9,9-trifluoro-8-oxo-N-phenyl-nonanamide |
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(Nc1ccccc1)CCCCCCC(=O)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1 |
| SMILES | CACTVS | 3.341 | FC(F)(F)C(=O)CCCCCCC(=O)Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C15H18F3NO2/c16-15(17,18)13(20)10-6-1-2-7-11-14(21)19-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2,(H,19,21) |
| InChIKey | InChI | 1.03 | KRCXZGYVOZSCSF-UHFFFAOYSA-N |
