TL;DR: (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CAS 1047651-77-3) is a chemical compound with molecular formula C11H12FNO2 and molecular weight 209.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
Also Known As: (3R,4S)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C11H12FNO2 |
| Molecular Weight | 209.0852 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.0852 Da |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
| SMILES | C1[C@H]([C@H](CN1)C(=O)O)C2=CC=C(C=C2)F |
| InChIKey | YXKAESVIGMPPNB-UWVGGRQHSA-N |
The XLogP value of -1.3 indicates that (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is 1047651-77-3.
The molecular formula of (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is C11H12FNO2.
The molecular weight of (3R,4R)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is 209.0852 g/mol.
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