| CAS Number | 1803587-36-1 |
| Catalog Number | AG01ACN6(AGN-PC-0WO2Z0) |
| Chemical Name | N-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxamide hydrochloride |
| IUPAC Name | N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride |
| InChI | InChI=1S/C7H11F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h5,11H,1-4H2,(H,12,13);1H |
| InChI Key | ZYWBNTIOVKGLSG-UHFFFAOYSA-N |
| MDL Number | MFCD27920050 |
| Molecular Formula | C7H12ClF3N2O |
| Molecular Weight | 232.6312 |
| SMILES | Cl.FC(CNC(C1CNCC1)=O)(F)F |
| Synonyms | N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide hydrochloride,
1803587-36-1,
SCHEMBL2146434,
AKOS026727052,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.631g/mol |
| Monoisotopic Mass | 232.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number