1,2,3-Trifluorobenzene
TL;DR: 1,2,3-Trifluorobenzene (CAS 1489-53-8) is a chemical compound with molecular formula C6H3F3 and molecular weight 132.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trifluorobenzene
Also Known As: 1,2,3-TRIFLUOROBENZENE, trifluorobenzene, Benzene, trifluoro-, Benzene, 1,2,3-trifluoro-, 3,4,5-trifluoro-benzene
| Molecular Formula | C6H3F3 |
|---|---|
| Molecular Weight | 132.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.01869 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 1489-53-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)F)F |
| InChIKey | AJKNNUJQFALRIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Trifluorobenzene (CAS 1489-53-8), with molecular formula C6H3F3 and molecular weight 132.02 g/mol. IUPAC: 1,2,3-trifluorobenzene.
Chemical Property Profile of 1,2,3-Trifluorobenzene
Property Insights of 1,2,3-Trifluorobenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Trifluorobenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,3-Trifluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trifluorobenzene has 0 hydrogen bond donor(s) and 3 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 1,2,3-Trifluorobenzene?
The CAS number of 1,2,3-Trifluorobenzene is 1489-53-8.
What is the molecular formula of 1,2,3-Trifluorobenzene?
The molecular formula of 1,2,3-Trifluorobenzene is C6H3F3.
What is the molecular weight of 1,2,3-Trifluorobenzene?
The molecular weight of 1,2,3-Trifluorobenzene is 132.02 g/mol.
Where can I buy 1,2,3-Trifluorobenzene?
You can request a quote for 1,2,3-Trifluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trifluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trifluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.