| CAS Number | 1824348-84-6 |
| Catalog Number | AG01DZ3E |
| Chemical Name | tert-butyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate |
| InChI | InChI=1S/C10H14F2N2O2/c1-9(2,3)16-8(15)14-6-10(11,12)4-7(14)5-13/h7H,4,6H2,1-3H3 |
| InChI Key | NZUSVVISTGILKC-UHFFFAOYSA-N |
| MDL Number | MFCD24532444 |
| Molecular Formula | C10H14F2N2O2 |
| Molecular Weight | 232.2272 |
| SMILES | CC(OC(N1C(C#N)CC(F)(F)C1)=O)(C)C |
| Synonyms | TERT-BUTYL 2-CYANO-4,4-DIFLUOROPYRROLIDINE-1-CARBOXYLATE,
1824348-84-6,
SCHEMBL17180404,
AKOS034181910,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.231g/mol |
| Monoisotopic Mass | 232.102g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number