YXY
概要
| 表記: | 4,4-difluorocyclohexane-1-carboxamide |
| 組成式: | C7 H11 F2 N O |
| 電荷: | 0 |
| 化学式量: | 163.165 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 | 4,4-difluorocyclohexane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 4,4-bis(fluoranyl)cyclohexane-1-carboxamide |
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 | FC1(F)CCC(CC1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C7H11F2NO/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H2,10,11) |
| InChIKey | InChI | 1.06 | JKPXYSGFTYLPTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)C1CCC(F)(F)CC1 |
| SMILES | CACTVS | 3.385 | NC(=O)C1CCC(F)(F)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC(CCC1C(=O)N)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(CCC1C(=O)N)(F)F |
