2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile
TL;DR: 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile (CAS 537033-58-2) is a chemical compound with molecular formula C8H3BrF3N and molecular weight 248.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2,3,6-trifluorophenyl)acetonitrile
Also Known As: 4-Bromo-2,3,6-trifluorophenylacetonitrile, 2-(4-bromo-2,3,6-trifluorophenyl)acetonitrile, 2-(4-bromo-2,3,6-trifluorophenyl)ethanenitrile
| Molecular Formula | C8H3BrF3N |
|---|---|
| Molecular Weight | 248.94 g/mol |
| LogP | 2.93248 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.9401 |
| Heavy Atoms | 13 |
| Complexity | 383.95602 |
Chemical Identifiers
| CAS Number | 537033-58-2 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Br)F)F)CC#N)F |
Product Overview
2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile (CAS 537033-58-2), with molecular formula C8H3BrF3N and molecular weight 248.94 g/mol. IUPAC: 2-(4-bromo-2,3,6-trifluorophenyl)acetonitrile.
Chemical Property Profile of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile
Property Insights of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile
The XLogP value of 2.93248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile 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 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile?
The CAS number of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile is 537033-58-2.
What is the molecular formula of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile?
The molecular formula of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile is C8H3BrF3N.
What is the molecular weight of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile?
The molecular weight of 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile is 248.94 g/mol.
Where can I buy 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile?
You can request a quote for 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromo-2,3,6-trifluorophenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.