1,3,5-Trifluoro-2-nitrobenzene
TL;DR: 1,3,5-Trifluoro-2-nitrobenzene (CAS 315-14-0) is a chemical compound with molecular formula C6H2F3NO2 and molecular weight 177.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-trifluoro-2-nitrobenzene
Also Known As: 1,3,5-Trifluoro-2-nitrobenzene, 2,4,6-Trifluoronitrobenzene, wnr bf df ff, Benzene, 1,3,5-trifluoro-2-nitro-, 2,2,6-trifluoronitrobenzene
| Molecular Formula | C6H2F3NO2 |
|---|---|
| Molecular Weight | 177.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.00377 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 315-14-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)[N+](=O)[O-])F)F |
| InChIKey | PWRFDGYYJWQIAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Trifluoro-2-nitrobenzene (CAS 315-14-0), with molecular formula C6H2F3NO2 and molecular weight 177.00 g/mol. IUPAC: 1,3,5-trifluoro-2-nitrobenzene.
Chemical Property Profile of 1,3,5-Trifluoro-2-nitrobenzene
Property Insights of 1,3,5-Trifluoro-2-nitrobenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Trifluoro-2-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 1,3,5-Trifluoro-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Trifluoro-2-nitrobenzene has 0 hydrogen bond donor(s) and 5 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 1,3,5-Trifluoro-2-nitrobenzene?
The CAS number of 1,3,5-Trifluoro-2-nitrobenzene is 315-14-0.
What is the molecular formula of 1,3,5-Trifluoro-2-nitrobenzene?
The molecular formula of 1,3,5-Trifluoro-2-nitrobenzene is C6H2F3NO2.
What is the molecular weight of 1,3,5-Trifluoro-2-nitrobenzene?
The molecular weight of 1,3,5-Trifluoro-2-nitrobenzene is 177.00 g/mol.
Where can I buy 1,3,5-Trifluoro-2-nitrobenzene?
You can request a quote for 1,3,5-Trifluoro-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Trifluoro-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Trifluoro-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.