1-Nitro-2-(2,2,2-trifluoroethoxy)benzene
TL;DR: 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene (CAS 87014-28-6) is a chemical compound with molecular formula C8H6F3NO3 and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-(2,2,2-trifluoroethoxy)benzene
Also Known As: 1-nitro-2-(2,2,2-trifluoroethoxy)benzene, 2-(2,2,2-Trifluoroethoxy)nitrobenzene, Benzene, 1-nitro-2-(2,2,2-trifluoroethoxy)-, 1-(2,2,2-trifluoroethoxy)-2-nitrobenzene, J2.162.980D
| Molecular Formula | C8H6F3NO3 |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 2.5359 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.02998 |
| Heavy Atoms | 15 |
| Complexity | 364.39468 |
Chemical Identifiers
| CAS Number | 87014-28-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCC(F)(F)F |
Product Overview
1-Nitro-2-(2,2,2-trifluoroethoxy)benzene (CAS 87014-28-6), with molecular formula C8H6F3NO3 and molecular weight 221.03 g/mol. IUPAC: 1-nitro-2-(2,2,2-trifluoroethoxy)benzene.
Chemical Property Profile of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene
Property Insights of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene
The XLogP value of 2.5359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene 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-Nitro-2-(2,2,2-trifluoroethoxy)benzene?
The CAS number of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene is 87014-28-6.
What is the molecular formula of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene?
The molecular formula of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene is C8H6F3NO3.
What is the molecular weight of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene?
The molecular weight of 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene is 221.03 g/mol.
Where can I buy 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene?
You can request a quote for 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-2-(2,2,2-trifluoroethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.