1-(2-Bromoethyl)-3-(trifluoromethyl)benzene
TL;DR: 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene (CAS 1997-80-4) is a chemical compound with molecular formula C9H8BrF3 and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethyl)-3-(trifluoromethyl)benzene
Also Known As: 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene, 3-(Trifluoromethyl)phenylethyl bromide, 3-(TRIFLUOROMETHYL)PHENETHYL BROMIDE, Benzene, 1-(2-bromoethyl)-3-(trifluoromethyl)-, 2-Fluorophenethyl bromide
| Molecular Formula | C9H8BrF3 |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.97615 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 1997-80-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCBr |
| InChIKey | AZLYAPKPZBXCGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Bromoethyl)-3-(trifluoromethyl)benzene (CAS 1997-80-4), with molecular formula C9H8BrF3 and molecular weight 251.98 g/mol. IUPAC: 1-(2-bromoethyl)-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene
Property Insights of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene
The XLogP value of 3.8 indicates that 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene 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-Bromoethyl)-3-(trifluoromethyl)benzene?
The CAS number of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene is 1997-80-4.
What is the molecular formula of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene?
The molecular formula of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene is C9H8BrF3.
What is the molecular weight of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene?
The molecular weight of 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene is 251.98 g/mol.
Where can I buy 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene?
You can request a quote for 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.