(+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl
TL;DR: (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl (CAS 1363404-65-2) is a chemical compound with molecular formula C12H13ClF3NO2 and molecular weight 295.0587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: trans-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl, (3S,4R)-4-[4-(Trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride, (3S,4R)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID, (3R,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic Acid Hydrochloride
Technical Specifications
| Molecular Formula | C12H13ClF3NO2 |
| Molecular Weight | 295.0587 g/mol |
| XLogP | 2.5148 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0587 Da |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F.Cl |
| InChIKey | KHEKJMKAVRTDKQ-BAUSSPIASA-N |
Chemical Property Profile of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl
Property Insights of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl
The XLogP value of 2.5148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl. With a topological polar surface area (TPSA) of 49.3 Ų, (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The CAS number of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 1363404-65-2.
What is the molecular formula of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular formula of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl is C12H13ClF3NO2.
What is the molecular weight of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
The molecular weight of (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl is 295.0587 g/mol.
Where can I buy (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
You can request a quote for (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl?
Yes, CoreyChem provides custom synthesis services for (+/-)-trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.