TPF
Summary
| Name: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL |
| Synonyms: | FLUCONAZOLE ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL; ELAZOR; TRIFLUCAN; BIOZOLENE |
| Formula: | C13 H12 F2 N6 O |
| Formal charge: | 0 |
| Formula weight: | 306.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2,4-difluorophenyl)-1,3-di-1H-1,2,4-triazol-1-ylpropan-2-ol |
| OpenEye OEToolkits | 1.5.0 | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F |
| SMILES | CACTVS | 3.341 | OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O |
| InChI | InChI | 1.03 | InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2 |
| InChIKey | InChI | 1.03 | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
