2-Amino-3,5,6-trifluoroterephthalonitrile
TL;DR: 2-Amino-3,5,6-trifluoroterephthalonitrile (CAS 133622-66-9) is a chemical compound with molecular formula C8H2F3N3 and molecular weight 197.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3,5,6-trifluorobenzene-1,4-dicarbonitrile
Also Known As: 2-Amino-3,5,6-trifluoroterephthalonitrile, 3,5-Dimethoxyaniline, 2-amino-3,5,6-trifluorobenzene-1,4-dicarbonitrile, starbld0019371, 2-Amino-3,5,6-trifluoro-1,4-benzenedicarbonitrile
| Molecular Formula | C8H2F3N3 |
|---|---|
| Molecular Weight | 197.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.02008 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 133622-66-9 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)N |
| InChIKey | JJQQOCSLHWPLLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3,5,6-trifluoroterephthalonitrile (CAS 133622-66-9), with molecular formula C8H2F3N3 and molecular weight 197.02 g/mol. IUPAC: 2-amino-3,5,6-trifluorobenzene-1,4-dicarbonitrile.
Chemical Property Profile of 2-Amino-3,5,6-trifluoroterephthalonitrile
Property Insights of 2-Amino-3,5,6-trifluoroterephthalonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3,5,6-trifluoroterephthalonitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3,5,6-trifluoroterephthalonitrile. Following Lipinski's Rule of Five, 2-Amino-3,5,6-trifluoroterephthalonitrile has 1 hydrogen bond donor(s) and 6 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-Amino-3,5,6-trifluoroterephthalonitrile?
The CAS number of 2-Amino-3,5,6-trifluoroterephthalonitrile is 133622-66-9.
What is the molecular formula of 2-Amino-3,5,6-trifluoroterephthalonitrile?
The molecular formula of 2-Amino-3,5,6-trifluoroterephthalonitrile is C8H2F3N3.
What is the molecular weight of 2-Amino-3,5,6-trifluoroterephthalonitrile?
The molecular weight of 2-Amino-3,5,6-trifluoroterephthalonitrile is 197.02 g/mol.
Where can I buy 2-Amino-3,5,6-trifluoroterephthalonitrile?
You can request a quote for 2-Amino-3,5,6-trifluoroterephthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3,5,6-trifluoroterephthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3,5,6-trifluoroterephthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.