LT3
概要
| 表記: | (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine |
| 組成式: | C12 H12 F3 N |
| 電荷: | 0 |
| 化学式量: | 227.226 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 | (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-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 | 10.04 | FC(F)(F)c1cccc2c1C3CCC2C3N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H]1[C@H]2CC[C@@H]1c3c2cccc3C(F)(F)F |
| SMILES | CACTVS | 3.341 | N[CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N |
| InChI | InChI | 1.03 | InChI=1S/C12H12F3N/c13-12(14,15)9-3-1-2-6-7-4-5-8(10(6)9)11(7)16/h1-3,7-8,11H,4-5,16H2/t7-,8+,11-/m0/s1 |
| InChIKey | InChI | 1.03 | HHIJEPNAHYLKPE-RNSXUZJQSA-N |
