Tert-butyl 7a-(trifluoromethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride
Structure Info
- Chemspace ID
- CSSB21043405918 (In-Stock Building Blocks)
- CAS
- 3101519-27-8
- IUPAC Name
- tert-butyl 7a-(trifluoromethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride
- Mol formula
- C13H22ClF3N2O2
- Mol weight
- 331 Da
- Catalog Number(s)
- BBLS21043405918, EN300-52963588, bbls21043405918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.43
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.923
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
![Chemical structure of Tert-butyl 7a-(trifluoromethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride (C13H22ClF3N2O2) - CSSB21043405918](/st/structure/200/e24768d9d1292bb8148b25657c043f12/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CCC2%2528CNCC2C1%2529C%2528F%2529%2528F%2529F.png "C13H22ClF3N2O2")
- Zoom the structure
- CSSB21043405918
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 249.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 372.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 530.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 835.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,070.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 2,100.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 3,105.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 4,606.00 |
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Substructure Analogs
![Chemical structure of rac-tert-butyl (3aR,7aR)-7a-(trifluoromethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride - CSSB20621780750](/st/structure/200/36168cff35ac13009ad45a07cbd3f3c7/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%255D2%2528CNC%255BC%2540H%255D2C1%2529C%2528F%2529%2528F%2529F%2B%257C%25261%253A11%252C15%252Cr%257C.png)
![Chemical structure of tert-butyl (3aS,7aS)-7a-(trifluoromethyl)-octahydro-1H-pyrrolo[3,4-c]pyridine-5-carboxylate hydrochloride - CSSB20621799058](/st/structure/200/4c97e44cf6e08768607cbac168c0d93e/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC%255BC%2540%255D2%2528CNC%255BC%2540H%255D2C1%2529C%2528F%2529%2528F%2529F.png)
Similarity Analogs
![Chemical structure of tert-butyl 3a-(trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate hydrochloride - CSSB20504685149](/st/structure/200/5e8e73ae91a3661c1655b879cc875a48/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1CC2CNCC2%2528C1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of rac-tert-butyl (3aR,6aR)-3a-(trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate hydrochloride - CSSB20620673526](/st/structure/200/844605e63eab180667fe4b69c58ab71e/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1C%255BC%2540H%255D2CNC%255BC%2540%255D2%2528C1%2529C%2528F%2529%2528F%2529F%2B%257C%25261%253A10%252C14%252Cr%257C.png)
![Chemical structure of tert-butyl (3aR,6aR)-3a-(trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate hydrochloride - CSSB20621208632](/st/structure/200/9c3e4271622f2562358fb3f5a4f6ab15/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1C%255BC%2540H%255D2CNC%255BC%2540%255D2%2528C1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of tert-butyl (3aS,6aS)-3a-(trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate hydrochloride - CSSB03496529285](/st/structure/200/680bedc0c958d0b2006b9760cd3b6b56/Cl.CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1C%255BC%2540%2540H%255D2CNC%255BC%2540%2540%255D2%2528C1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of tert-butyl (3aS,6aS)-3a-(trifluoromethyl)-octahydropyrrolo[3,4-c]pyrrole-2-carboxylate - CSSB03496528865](/st/structure/200/f037fc3b28a62425b21bf2a2143555cf/CC%2528C%2529%2528C%2529OC%2528%253DO%2529N1C%255BC%2540%2540H%255D2CNC%255BC%2540%2540%255D2%2528C1%2529C%2528F%2529%2528F%2529F.png)
