3-Fluoro-4-nitrobenzotrifluoride
TL;DR: 3-Fluoro-4-nitrobenzotrifluoride (CAS 402-12-0) is a chemical compound with molecular formula C7H3F4NO2 and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-1-nitro-4-(trifluoromethyl)benzene
Also Known As: 3-fluoro-4-nitrobenzotrifluoride, Zeaxanthin, 2-fluoro-1-nitro-4-(trifluoromethyl)benzene, 2-Fluoro-4-(trifluoromethyl)nitrobenzene, 2-Fluoro-1-nitro-4-trifluoromethyl-benzene
| Molecular Formula | C7H3F4NO2 |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.7527 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.01 |
| Heavy Atoms | 14 |
| Complexity | 374.4428 |
Chemical Identifiers
| CAS Number | 402-12-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)[N+](=O)[O-] |
Product Overview
3-Fluoro-4-nitrobenzotrifluoride (CAS 402-12-0), with molecular formula C7H3F4NO2 and molecular weight 209.01 g/mol. IUPAC: 2-fluoro-1-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 3-Fluoro-4-nitrobenzotrifluoride
Property Insights of 3-Fluoro-4-nitrobenzotrifluoride
The XLogP value of 2.7527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-nitrobenzotrifluoride. With a topological polar surface area (TPSA) of 43.14 Ų, 3-Fluoro-4-nitrobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-nitrobenzotrifluoride has 0 hydrogen bond donor(s) and 2 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 3-Fluoro-4-nitrobenzotrifluoride?
The CAS number of 3-Fluoro-4-nitrobenzotrifluoride is 402-12-0.
What is the molecular formula of 3-Fluoro-4-nitrobenzotrifluoride?
The molecular formula of 3-Fluoro-4-nitrobenzotrifluoride is C7H3F4NO2.
What is the molecular weight of 3-Fluoro-4-nitrobenzotrifluoride?
The molecular weight of 3-Fluoro-4-nitrobenzotrifluoride is 209.01 g/mol.
Where can I buy 3-Fluoro-4-nitrobenzotrifluoride?
You can request a quote for 3-Fluoro-4-nitrobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-nitrobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-nitrobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.