1-(2,6-Difluorobenzoyl)pyrrolidine
TL;DR: 1-(2,6-Difluorobenzoyl)pyrrolidine (CAS 84044-77-9) is a chemical compound with molecular formula C11H11F2NO and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-difluorophenyl)-pyrrolidin-1-ylmethanone
Also Known As: 1-(2,6-Difluorobenzoyl)pyrrolidine, (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, 2,6-difluorophenyl pyrrolidinyl ketone, (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone, 1-(2,6-Difluorobenzoyl)pyrrolidine #
| Molecular Formula | C11H11F2NO |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.08087 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 84044-77-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2=C(C=CC=C2F)F |
| InChIKey | WKDBMZQECSVNDS-UHFFFAOYSA-N |
Product Overview
1-(2,6-Difluorobenzoyl)pyrrolidine (CAS 84044-77-9), with molecular formula C11H11F2NO and molecular weight 211.08 g/mol. IUPAC: (2,6-difluorophenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of 1-(2,6-Difluorobenzoyl)pyrrolidine
Property Insights of 1-(2,6-Difluorobenzoyl)pyrrolidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Difluorobenzoyl)pyrrolidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2,6-Difluorobenzoyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Difluorobenzoyl)pyrrolidine has 0 hydrogen bond donor(s) and 3 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-(2,6-Difluorobenzoyl)pyrrolidine?
The CAS number of 1-(2,6-Difluorobenzoyl)pyrrolidine is 84044-77-9.
What is the molecular formula of 1-(2,6-Difluorobenzoyl)pyrrolidine?
The molecular formula of 1-(2,6-Difluorobenzoyl)pyrrolidine is C11H11F2NO.
What is the molecular weight of 1-(2,6-Difluorobenzoyl)pyrrolidine?
The molecular weight of 1-(2,6-Difluorobenzoyl)pyrrolidine is 211.08 g/mol.
Where can I buy 1-(2,6-Difluorobenzoyl)pyrrolidine?
You can request a quote for 1-(2,6-Difluorobenzoyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Difluorobenzoyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Difluorobenzoyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.