OGZ
概要
| 表記: | [3-(trifluoromethyl)phenyl]methanamine |
| 組成式: | C8 H8 F3 N |
| 電荷: | 0 |
| 化学式量: | 175.151 Da |
| 分子種別: | L-peptide linking |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [3-(trifluoromethyl)phenyl]methanamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2 |
| InChIKey | InChI | 1.03 | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NCc1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)CN |
