FWB
Summary
| Name: | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol |
| Formula: | C10 H12 F3 N O |
| Formal charge: | 0 |
| Formula weight: | 219.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12F3NO/c1-6(14)2-7-3-8(10(11,12)13)5-9(15)4-7/h3-6,15H,2,14H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | STNBHVRWYKPOSM-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)Cc1cc(O)cc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH](N)Cc1cc(O)cc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(Cc1cc(cc(c1)O)C(F)(F)F)N |
