OXJ
Summary
| Name: | 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine |
| Formula: | C10 H9 F6 N |
| Formal charge: | 0 |
| Formula weight: | 257.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.7 | 1-[3,5-bis(trifluoromethyl)phenyl]-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3 |
| InChIKey | InChI | 1.03 | ADTNSTHKMIPKIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |
