3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile
TL;DR: 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile (CAS 680-15-9) is a chemical compound with molecular formula C11H6BrF6NO2 and molecular weight 376.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile
Also Known As: 3-bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile, 2,6-Bis(2,2,2-trifluoroethoxy)-3-bromobenzonitrile, Maybridge4_002676, 9121AA, IDI1_032554
| Molecular Formula | C11H6BrF6NO2 |
|---|---|
| Molecular Weight | 376.95 g/mol |
| LogP | 4.20298 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.9486 |
| Heavy Atoms | 21 |
| Complexity | 549.3603 |
Chemical Identifiers
| CAS Number | 680-15-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1OCC(F)(F)F)C#N)OCC(F)(F)F)Br |
Product Overview
3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile (CAS 680-15-9), with molecular formula C11H6BrF6NO2 and molecular weight 376.95 g/mol. IUPAC: 3-bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile.
Chemical Property Profile of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile
Property Insights of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile
The XLogP value of 4.20298 indicates that 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.25 Ų, 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile 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 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile?
The CAS number of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile is 680-15-9.
What is the molecular formula of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile?
The molecular formula of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile is C11H6BrF6NO2.
What is the molecular weight of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile?
The molecular weight of 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile is 376.95 g/mol.
Where can I buy 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile?
You can request a quote for 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-2,6-bis(2,2,2-trifluoroethoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.