TL;DR: 2-[4-(Trifluoromethyl)phenyl]pyrrolidine (CAS 1228549-96-9) is a chemical compound with molecular formula C11H12F3N and molecular weight 215.09218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(trifluoromethyl)phenyl]pyrrolidine
Also Known As: 2-[4-(trifluoromethyl)phenyl]pyrrolidine, 2-(4-trifluoromethylphenyl)pyrrolidine, null, 2- pyrrolidine, 2-(4-Trifluoromethylphenyl)-pyrrolidine
| Molecular Formula | C11H12F3N |
| Molecular Weight | 215.09218 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.09218 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| SMILES | C1CC(NC1)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | GSOGADJIIMVREB-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Trifluoromethyl)phenyl]pyrrolidine. With a topological polar surface area (TPSA) of 12.0 Ų, 2-[4-(Trifluoromethyl)phenyl]pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Trifluoromethyl)phenyl]pyrrolidine has 1 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 2-[4-(Trifluoromethyl)phenyl]pyrrolidine is 1228549-96-9.
The molecular formula of 2-[4-(Trifluoromethyl)phenyl]pyrrolidine is C11H12F3N.
The molecular weight of 2-[4-(Trifluoromethyl)phenyl]pyrrolidine is 215.09218 g/mol.
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