4-Chloro-2,3,6-trifluorophenylacetonitrile
TL;DR: 4-Chloro-2,3,6-trifluorophenylacetonitrile (CAS 537033-62-8) is a chemical compound with molecular formula C8H3ClF3N and molecular weight 204.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2,3,6-trifluorophenyl)acetonitrile
Also Known As: 4-Chloro-2,3,6-trifluorophenylacetonitrile, 2-(4-chloro-2,3,6-trifluorophenyl)acetonitrile, 2-(4-chloro-2,3,6-trifluorophenyl)ethanenitrile
| Molecular Formula | C8H3ClF3N |
|---|---|
| Molecular Weight | 204.99 g/mol |
| LogP | 2.82338 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.99062 |
| Heavy Atoms | 13 |
| Complexity | 383.95602 |
Chemical Identifiers
| CAS Number | 537033-62-8 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)F)F)CC#N)F |
Product Overview
4-Chloro-2,3,6-trifluorophenylacetonitrile (CAS 537033-62-8), with molecular formula C8H3ClF3N and molecular weight 204.99 g/mol. IUPAC: 2-(4-chloro-2,3,6-trifluorophenyl)acetonitrile.
Chemical Property Profile of 4-Chloro-2,3,6-trifluorophenylacetonitrile
Property Insights of 4-Chloro-2,3,6-trifluorophenylacetonitrile
The XLogP value of 2.82338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2,3,6-trifluorophenylacetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 4-Chloro-2,3,6-trifluorophenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2,3,6-trifluorophenylacetonitrile 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 4-Chloro-2,3,6-trifluorophenylacetonitrile?
The CAS number of 4-Chloro-2,3,6-trifluorophenylacetonitrile is 537033-62-8.
What is the molecular formula of 4-Chloro-2,3,6-trifluorophenylacetonitrile?
The molecular formula of 4-Chloro-2,3,6-trifluorophenylacetonitrile is C8H3ClF3N.
What is the molecular weight of 4-Chloro-2,3,6-trifluorophenylacetonitrile?
The molecular weight of 4-Chloro-2,3,6-trifluorophenylacetonitrile is 204.99 g/mol.
Where can I buy 4-Chloro-2,3,6-trifluorophenylacetonitrile?
You can request a quote for 4-Chloro-2,3,6-trifluorophenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2,3,6-trifluorophenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2,3,6-trifluorophenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.