ULS
Summary
| Name: | 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile |
| Formula: | C16 H10 F4 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 338.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 3-fluoranyl-5-[[(7~{R})-7-oxidanyl-1-(trifluoromethyl)-6,7-dihydro-5~{H}-cyclopenta[c]pyridin-4-yl]oxy]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1cc(cc(c1)Oc2cnc(c3c2CCC3O)C(F)(F)F)F |
| InChI | InChI | 1.03 | InChI=1S/C16H10F4N2O2/c17-9-3-8(6-21)4-10(5-9)24-13-7-22-15(16(18,19)20)14-11(13)1-2-12(14)23/h3-5,7,12,23H,1-2H2/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | QJVMUDSPENWIOV-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CCc2c(Oc3cc(F)cc(c3)C#N)cnc(c12)C(F)(F)F |
| SMILES | CACTVS | 3.385 | O[CH]1CCc2c(Oc3cc(F)cc(c3)C#N)cnc(c12)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F)F)F)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(cc1Oc2cnc(c3c2CCC3O)C(F)(F)F)F)C#N |
