YXO
概要
| 表記: | 1-(difluoromethyl)-1H-indol-5-amine |
| 組成式: | C9 H8 F2 N2 |
| 電荷: | 0 |
| 化学式量: | 182.17 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 | 1-(difluoromethyl)-1H-indol-5-amine |
| OpenEye OEToolkits | 2.0.7 | 1-[bis(fluoranyl)methyl]indol-5-amine |
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)n1ccc2cc(N)ccc21 |
| InChI | InChI | 1.06 | InChI=1S/C9H8F2N2/c10-9(11)13-4-3-6-5-7(12)1-2-8(6)13/h1-5,9H,12H2 |
| InChIKey | InChI | 1.06 | MTRDMFDHRBOAGV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2n(ccc2c1)C(F)F |
| SMILES | CACTVS | 3.385 | Nc1ccc2n(ccc2c1)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(ccn2C(F)F)cc1N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(ccn2C(F)F)cc1N |
