ULM
Summary
| Name: | (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol |
| Formula: | C13 H11 F6 N O2 |
| Formal charge: | 0 |
| Formula weight: | 327.222 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol |
| OpenEye OEToolkits | 2.0.7 | (6~{R},7~{S})-4-[3,3-bis(fluoranyl)cyclobutyl]oxy-6-fluoranyl-1-(trifluoromethyl)-6,7-dihydro-5~{H}-cyclopenta[c]pyridin-7-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cnc(c2c1CC(C2O)F)C(F)(F)F)OC3CC(C3)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C13H11F6NO2/c14-7-1-6-8(22-5-2-12(15,16)3-5)4-20-11(13(17,18)19)9(6)10(7)21/h4-5,7,10,21H,1-3H2/t7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | PUEJLMQBKXIGPV-GMSGAONNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1[C@H](F)Cc2c(OC3CC(F)(F)C3)cnc(c12)C(F)(F)F |
| SMILES | CACTVS | 3.385 | O[CH]1[CH](F)Cc2c(OC3CC(F)(F)C3)cnc(c12)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC3CC(C3)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c(c(n1)C(F)(F)F)C(C(C2)F)O)OC3CC(C3)(F)F |
