1-Nitro-4-(pentafluoroethoxy)benzene
TL;DR: 1-Nitro-4-(pentafluoroethoxy)benzene (CAS 1743-96-0) is a chemical compound with molecular formula C8H4F5NO3 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-4-(1,1,2,2,2-pentafluoroethoxy)benzene
Also Known As: 1-Nitro-4-(perfluoroethoxy)benzene, 1-nitro-4-(pentafluoroethoxy)benzene, 4-(Pentafluoroethoxy)nitrobenzene, 1-nitro-4-(1,1,2,2,2-pentafluoroethoxy)benzene, Benzene, 1-nitro-4-(pentafluoroethoxy)-
| Molecular Formula | C8H4F5NO3 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 3.1287 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.01114 |
| Heavy Atoms | 17 |
| Complexity | 414.16397 |
Chemical Identifiers
| CAS Number | 1743-96-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(C(F)(F)F)(F)F |
Product Overview
1-Nitro-4-(pentafluoroethoxy)benzene (CAS 1743-96-0), with molecular formula C8H4F5NO3 and molecular weight 257.01 g/mol. IUPAC: 1-nitro-4-(1,1,2,2,2-pentafluoroethoxy)benzene.
Chemical Property Profile of 1-Nitro-4-(pentafluoroethoxy)benzene
Property Insights of 1-Nitro-4-(pentafluoroethoxy)benzene
The XLogP value of 3.1287 indicates that 1-Nitro-4-(pentafluoroethoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Nitro-4-(pentafluoroethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-4-(pentafluoroethoxy)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-4-(pentafluoroethoxy)benzene?
The CAS number of 1-Nitro-4-(pentafluoroethoxy)benzene is 1743-96-0.
What is the molecular formula of 1-Nitro-4-(pentafluoroethoxy)benzene?
The molecular formula of 1-Nitro-4-(pentafluoroethoxy)benzene is C8H4F5NO3.
What is the molecular weight of 1-Nitro-4-(pentafluoroethoxy)benzene?
The molecular weight of 1-Nitro-4-(pentafluoroethoxy)benzene is 257.01 g/mol.
Where can I buy 1-Nitro-4-(pentafluoroethoxy)benzene?
You can request a quote for 1-Nitro-4-(pentafluoroethoxy)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-4-(pentafluoroethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitro-4-(pentafluoroethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.