| CAS Number | 1864015-21-3 |
| Catalog Number | AG01AUOX |
| Chemical Name | 2,2,2-trifluoro-1-{octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one hydrochloride |
| IUPAC Name | 1-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)-2,2,2-trifluoroethanone;hydrochloride |
| InChI | InChI=1S/C9H13F3N2O.ClH/c10-9(11,12)8(15)14-4-6-1-2-13-3-7(6)5-14;/h6-7,13H,1-5H2;1H |
| InChI Key | ZHIAERYTIDXKHA-UHFFFAOYSA-N |
| MDL Number | MFCD29041154 |
| Molecular Formula | C9H14ClF3N2O |
| Molecular Weight | 258.6685 |
| SMILES | Cl.FC(C(N1CC2C(CCNC2)C1)=O)(F)F |
| Synonyms | 1864015-21-3,
2,2,2-trifluoro-1-{octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one hydrochloride,
AKOS033816267,
Z2235681423,
2,2,2-trifluoro-1-{octahydro-1H-pyrrolo[3,4-c]pyridin-2-yl}ethan-1-one hydrochloride, Mixture of diastereomers,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.669g/mol |
| Monoisotopic Mass | 258.075g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number