2,4,5-Trifluorobenzonitrile
TL;DR: 2,4,5-Trifluorobenzonitrile (CAS 98349-22-5) is a chemical compound with molecular formula C7H2F3N and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trifluorobenzonitrile
Also Known As: 2,4,5-Trifluorobenzonitrile, 3-flurophenol, Benzonitrile, 2,4,5-trifluoro-, 2,4,5-trifluorophenylnitrile, 2,4,5-trifluoro-benzonitrile
| Molecular Formula | C7H2F3N |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.01393 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 98349-22-5 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)F)F)C#N |
| InChIKey | DLKNOGQOOZFICZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trifluorobenzonitrile (CAS 98349-22-5), with molecular formula C7H2F3N and molecular weight 157.01 g/mol. IUPAC: 2,4,5-trifluorobenzonitrile.
Chemical Property Profile of 2,4,5-Trifluorobenzonitrile
Property Insights of 2,4,5-Trifluorobenzonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trifluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,4,5-Trifluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trifluorobenzonitrile has 0 hydrogen bond donor(s) and 4 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 2,4,5-Trifluorobenzonitrile?
The CAS number of 2,4,5-Trifluorobenzonitrile is 98349-22-5.
What is the molecular formula of 2,4,5-Trifluorobenzonitrile?
The molecular formula of 2,4,5-Trifluorobenzonitrile is C7H2F3N.
What is the molecular weight of 2,4,5-Trifluorobenzonitrile?
The molecular weight of 2,4,5-Trifluorobenzonitrile is 157.01 g/mol.
Where can I buy 2,4,5-Trifluorobenzonitrile?
You can request a quote for 2,4,5-Trifluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trifluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trifluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.