| CAS Number | 1523541-90-3 |
| Catalog Number | AG00HXZF(AGN-PC-0WCX8H) |
| Chemical Name | METHYL (2S,4S)-1-BOC-4-TRIFLUOROMETHYLPYRROLIDINE-2-CARBOXYLATE |
| IUPAC Name | 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate |
| InChI | InChI=1S/C12H18F3NO4/c1-11(2,3)20-10(18)16-6-7(12(13,14)15)5-8(16)9(17)19-4/h7-8H,5-6H2,1-4H3/t7-,8-/m0/s1 |
| InChI Key | BIBYRUVESDZUDY-YUMQZZPRSA-N |
| MDL Number | MFCD09749893 |
| Molecular Formula | C12H18F3NO4 |
| Molecular Weight | 297.2708 |
| SMILES | C(OC(C)(C)C)(=O)N1[C@H](C(OC)=O)C[C@H]([C@](F)(F)F)C1 |
| Synonyms | 1523541-90-3,
(2S,4S)-1-tert-butyl 2-methyl 4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate,
Methyl (2S,4S)-1-Boc-4-trifluoromethylpyrrolidine-2-carboxylate,
1-tert-butyl 2-methyl (2s,4s)-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate,
647857-63-4,
MFCD09749893,
ZINC26893158,
AKOS025290898,
PB37491,
SB10889,
AK170838,
AS-33874,
CS-0052391,
KS-00000460,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.274g/mol |
| Monoisotopic Mass | 297.119g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number