2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile
TL;DR: 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile (CAS 20330-90-9) is a chemical compound with molecular formula C9H4F5N and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3-difluoro-4-(trifluoromethyl)phenyl]acetonitrile
Also Known As: 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile, 2-(2,3-Difluoro-4-(trifluoromethyl)phenyl)acetonitrile, Dimethyl 5-chloroisophthalate, 2-[2,3-difluoro-4-(trifluoromethyl)phenyl]acetonitrile, [2,3-Difluoro-4-(trifluoromethyl)phenyl]acetonitrile
| Molecular Formula | C9H4F5N |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 3.04968 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.02638 |
| Heavy Atoms | 15 |
| Complexity | 415.73648 |
Chemical Identifiers
| CAS Number | 20330-90-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1CC#N)F)F)C(F)(F)F |
Product Overview
2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile (CAS 20330-90-9), with molecular formula C9H4F5N and molecular weight 221.03 g/mol. IUPAC: 2-[2,3-difluoro-4-(trifluoromethyl)phenyl]acetonitrile.
Chemical Property Profile of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile
Property Insights of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile
The XLogP value of 3.04968 indicates that 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile 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 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile?
The CAS number of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile is 20330-90-9.
What is the molecular formula of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile?
The molecular formula of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile is C9H4F5N.
What is the molecular weight of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile?
The molecular weight of 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile is 221.03 g/mol.
Where can I buy 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile?
You can request a quote for 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Difluoro-4-(trifluoromethyl)phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.