| CAS Number | 869527-51-5 |
| Catalog Number | AG00IL6P(AGN-PC-0WRAJU) |
| Chemical Name | tert-butyl (2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl (2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-5-7(11)4-8(12)6-13/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1 |
| InChI Key | ROEMZCLHRRRKGF-HTQZYQBOSA-N |
| MDL Number | MFCD30829051 |
| Molecular Formula | C10H18FNO3 |
| Molecular Weight | 219.2532 |
| SMILES | F[C@@H]1C[C@@H](N(C1)C(=O)OC(C)(C)C)CO |
| Synonyms | tert-Butyl (2R,4R)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carboxylate,
869527-51-5,
SCHEMBL3855310,
ROEMZCLHRRRKGF-HTQZYQBOSA-N,
ZINC72208833,
CS-0048637,
(2R,4R)-1-Boc-4-fluoro-2-(hydroxymethyl)pyrrolidine,
4-(R)-Fluoro-2-(R)-hydroxymethylpyrrolidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.127072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.25g/mol |
| Monoisotopic Mass | 219.127072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number