1FD
Summary
| Name: | 1-[4-(trifluoromethoxy)phenyl]methanamine |
| Formula: | C8 H8 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 191.15 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(trifluoromethoxy)phenyl]methanamine |
| OpenEye OEToolkits | 1.7.6 | [4-(trifluoromethyloxy)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)Oc1ccc(cc1)CN |
| InChI | InChI | 1.03 | InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2 |
| InChIKey | InChI | 1.03 | DBGROTRFYBSUTR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1ccc(OC(F)(F)F)cc1 |
| SMILES | CACTVS | 3.370 | NCc1ccc(OC(F)(F)F)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN)OC(F)(F)F |
