![3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one structure](/static/products/6994/69949-67-3.webp)
3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
TL;DR: 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CAS 69949-67-3) is a chemical compound with molecular formula C11H9BrF3NO and molecular weight 306.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Also Known As: 3-bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one, 3-Bromo-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-one, 3-Bromo-1-(3-trifluoromethyl-phenyl)-pyrrolidin-2-one, 3-Bromo-1-[3-(trifluoromethyl)phenyl]-pyrrolidin-2-one, 2-Pyrrolidinone, 3-bromo-1-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C11H9BrF3NO |
|---|---|
| Molecular Weight | 306.98 g/mol |
| LogP | 3.2056 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.98196 |
| Heavy Atoms | 17 |
| Complexity | 446.58783 |
Chemical Identifiers
| CAS Number | 69949-67-3 |
|---|---|
| SMILES | C1CN(C(=O)C1Br)C2=CC=CC(=C2)C(F)(F)F |
Product Overview
3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CAS 69949-67-3), with molecular formula C11H9BrF3NO and molecular weight 306.98 g/mol. IUPAC: 3-bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
Chemical Property Profile of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Property Insights of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
The XLogP value of 3.2056 indicates that 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one 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 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The CAS number of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is 69949-67-3.
What is the molecular formula of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The molecular formula of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is C11H9BrF3NO.
What is the molecular weight of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The molecular weight of 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is 306.98 g/mol.
Where can I buy 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
You can request a quote for 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.