TL;DR: (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049732-11-7) is a chemical compound with molecular formula C12H14ClF2NO2 and molecular weight 277.0681 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride, starbld0000458, 1113AA, H-{Bzl(3,4-F2)}Pro-OH HCl, (R)-alpha-(3,4-Difluoro-benzyl)-proline-HCl
| Molecular Formula | C12H14ClF2NO2 |
| Molecular Weight | 277.0681 g/mol |
| XLogP | 2.1359 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0681 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | C1C[C@@](NC1)(CC2=CC(=C(C=C2)F)F)C(=O)O.Cl |
| InChIKey | YEJFDSBCFZCUFF-UTONKHPSSA-N |
The XLogP value of 2.1359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1049732-11-7.
The molecular formula of (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C12H14ClF2NO2.
The molecular weight of (R)-2-(3,4-Difluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 277.0681 g/mol.
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