| CAS Number | 2132400-31-6 |
| Catalog Number | AG01EHZL |
| Chemical Name | tert-butyl N-{[2-(trifluoromethyl)pyrrolidin-2-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[2-(trifluoromethyl)pyrrolidin-2-yl]methyl]carbamate |
| InChI | InChI=1S/C11H19F3N2O2/c1-9(2,3)18-8(17)15-7-10(11(12,13)14)5-4-6-16-10/h16H,4-7H2,1-3H3,(H,15,17) |
| InChI Key | NUWMWUYFSAYWAL-UHFFFAOYSA-N |
| MDL Number | MFCD31558729 |
| Molecular Formula | C11H19F3N2O2 |
| Molecular Weight | 268.276 |
| SMILES | CC(OC(NCC1(C(F)(F)F)NCCC1)=O)(C)C |
| Synonyms | AKOS034086777,
tert-butyl N-{[2-(trifluoromethyl)pyrrolidin-2-yl]methyl}carbamate,
2132400-31-6,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.28g/mol |
| Monoisotopic Mass | 268.14g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number