4-Fluoro-3,5-dinitrobenzotrifluoride
TL;DR: 4-Fluoro-3,5-dinitrobenzotrifluoride (CAS 393-76-0) is a chemical compound with molecular formula C7H2F4N2O4 and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-1,3-dinitro-5-(trifluoromethyl)benzene
Also Known As: 3,5-Dinitro-4-fluorobenzotrifluoride, 2-fluoro-1,3-dinitro-5-(trifluoromethyl)benzene, 4-fluoro-3,5-dinitrobenzotrifluoride, 3,5-DINITRO-4-FLUOROBENZOTRIFLUOROIDE, 2,6-Dinitro-4-(trifluoromethyl)-1-fluorobenzene
| Molecular Formula | C7H2F4N2O4 |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.6609 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.99507 |
| Heavy Atoms | 17 |
| Complexity | 464.13245 |
Chemical Identifiers
| CAS Number | 393-76-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])F)[N+](=O)[O-])C(F)(F)F |
Product Overview
4-Fluoro-3,5-dinitrobenzotrifluoride (CAS 393-76-0), with molecular formula C7H2F4N2O4 and molecular weight 254.00 g/mol. IUPAC: 2-fluoro-1,3-dinitro-5-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Fluoro-3,5-dinitrobenzotrifluoride
Property Insights of 4-Fluoro-3,5-dinitrobenzotrifluoride
The XLogP value of 2.6609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3,5-dinitrobenzotrifluoride. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-3,5-dinitrobenzotrifluoride. Following Lipinski's Rule of Five, 4-Fluoro-3,5-dinitrobenzotrifluoride 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 4-Fluoro-3,5-dinitrobenzotrifluoride?
The CAS number of 4-Fluoro-3,5-dinitrobenzotrifluoride is 393-76-0.
What is the molecular formula of 4-Fluoro-3,5-dinitrobenzotrifluoride?
The molecular formula of 4-Fluoro-3,5-dinitrobenzotrifluoride is C7H2F4N2O4.
What is the molecular weight of 4-Fluoro-3,5-dinitrobenzotrifluoride?
The molecular weight of 4-Fluoro-3,5-dinitrobenzotrifluoride is 254.00 g/mol.
Where can I buy 4-Fluoro-3,5-dinitrobenzotrifluoride?
You can request a quote for 4-Fluoro-3,5-dinitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3,5-dinitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3,5-dinitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.