2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether
TL;DR: 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether (CAS 405-44-7) is a chemical compound with molecular formula C8H5ClF3NO3 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-1,1,2-trifluoroethoxy)-4-nitrobenzene
Also Known As: 1-(2-chloro-1,1,2-trifluoroethoxy)-4-nitrobenzene, 2-chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether, 4-(2-Chloro-1,1,2-trifluoroethoxy)-nitrobenzene, 1-(2-chloro-1,1,2-trifluoro-ethoxy)-4-nitro-benzene, Benzene, 1-(2-chloro-1,1,2-trifluoroethoxy)-4-nitro-
| Molecular Formula | C8H5ClF3NO3 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 3.1008 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.99101 |
| Heavy Atoms | 16 |
| Complexity | 382.61984 |
Chemical Identifiers
| CAS Number | 405-44-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(C(F)Cl)(F)F |
Product Overview
2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether (CAS 405-44-7), with molecular formula C8H5ClF3NO3 and molecular weight 254.99 g/mol. IUPAC: 1-(2-chloro-1,1,2-trifluoroethoxy)-4-nitrobenzene.
Chemical Property Profile of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether
Property Insights of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether
The XLogP value of 3.1008 indicates that 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether 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 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether?
The CAS number of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether is 405-44-7.
What is the molecular formula of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether?
The molecular formula of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether is C8H5ClF3NO3.
What is the molecular weight of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether?
The molecular weight of 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether is 254.99 g/mol.
Where can I buy 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether?
You can request a quote for 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,1,2-trifluoroethyl 4-nitrophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.