1-(2-Chloro-6-fluorobenzyl)pyrrolidine
TL;DR: 1-(2-Chloro-6-fluorobenzyl)pyrrolidine (CAS 827333-69-7) is a chemical compound with molecular formula C11H13ClFN and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine
Also Known As: 1-(2-chloro-6-fluorobenzyl)pyrrolidine, 1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine, 1-[(2-chloro-6-fluoro-phenyl)methyl]pyrrolidine
| Molecular Formula | C11H13ClFN |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 3.0749 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07205 |
| Heavy Atoms | 14 |
| Complexity | 300.8136 |
Chemical Identifiers
| CAS Number | 827333-69-7 |
|---|---|
| SMILES | C1CCN(C1)CC2=C(C=CC=C2Cl)F |
Product Overview
1-(2-Chloro-6-fluorobenzyl)pyrrolidine (CAS 827333-69-7), with molecular formula C11H13ClFN and molecular weight 213.07 g/mol. IUPAC: 1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine.
Chemical Property Profile of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine
Property Insights of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine
The XLogP value of 3.0749 indicates that 1-(2-Chloro-6-fluorobenzyl)pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-(2-Chloro-6-fluorobenzyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloro-6-fluorobenzyl)pyrrolidine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine?
The CAS number of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine is 827333-69-7.
What is the molecular formula of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine?
The molecular formula of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine is C11H13ClFN.
What is the molecular weight of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine?
The molecular weight of 1-(2-Chloro-6-fluorobenzyl)pyrrolidine is 213.07 g/mol.
Where can I buy 1-(2-Chloro-6-fluorobenzyl)pyrrolidine?
You can request a quote for 1-(2-Chloro-6-fluorobenzyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-6-fluorobenzyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-6-fluorobenzyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.