U43
Summary
| Name: | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
| Formula: | C8 H9 F3 N2 |
| Formal charge: | 0 |
| Formula weight: | 190.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}1-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Nc1cc(ccc1NC)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3 |
| InChIKey | InChI | 1.06 | KWYSQBACVABOFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(cc1N)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CNc1ccc(cc1N)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1ccc(cc1N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1ccc(cc1N)C(F)(F)F |
