| CAS Number | 1159981-92-6 |
| Catalog Number | AG01EJVI |
| Chemical Name | tert-butyl 3-(trifluoroacetyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H16F3NO3/c1-10(2,3)18-9(17)15-5-4-7(6-15)8(16)11(12,13)14/h7H,4-6H2,1-3H3 |
| InChI Key | FWBZVIGRJWLLKL-UHFFFAOYSA-N |
| MDL Number | MFCD11840395 |
| Molecular Formula | C11H16F3NO3 |
| Molecular Weight | 267.2448 |
| SMILES | CC(OC(N1CC(C(C(F)(F)F)=O)CC1)=O)(C)C |
| Synonyms | 3-(Trifluoroacetyl)pyrrolidine, N-BOC protected,
ZX-AP010535,
TERT-BUTYL 3-(2,2,2-TRIFLUOROACETYL)PYRROLIDINE-1-CARBOXYLATE,
PC49507,
3-(Trifluoroacetyl)pyrrolidine,N-BOC protected,
1-(tert-Butoxycarbonyl)-3-(trifluoroacetyl)pyrrolidine,
tert-Butyl 3-(trifluoroacetyl)pyrrolidine-1-carboxylate,
1159981-92-6,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.248g/mol |
| Monoisotopic Mass | 267.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number