4-Chloro-5-(difluoromethoxy)-2-fluoroaniline
TL;DR: 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline (CAS 117345-89-8) is a chemical compound with molecular formula C7H5ClF3NO and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(difluoromethoxy)-2-fluoroaniline
Also Known As: 4-chloro-5-(difluoromethoxy)-2-fluoroaniline, m-methoxyphenoxyacetyl chloride, Benzenamine,4-chloro-5-(difluoromethoxy)-2-fluoro-, 4-chloro-2-fluoro-5-difluoromethoxyaniline, 4-Chloro-5-difluoromethoxy-2-fluoroaniline
| Molecular Formula | C7H5ClF3NO |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.00117 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 117345-89-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1OC(F)F)Cl)F)N |
| InChIKey | PTHNSFLXVRTKDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-5-(difluoromethoxy)-2-fluoroaniline (CAS 117345-89-8), with molecular formula C7H5ClF3NO and molecular weight 211.00 g/mol. IUPAC: 4-chloro-5-(difluoromethoxy)-2-fluoroaniline.
Chemical Property Profile of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline
Property Insights of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline has 1 hydrogen bond donor(s) and 5 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-Chloro-5-(difluoromethoxy)-2-fluoroaniline?
The CAS number of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline is 117345-89-8.
What is the molecular formula of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline?
The molecular formula of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline is C7H5ClF3NO.
What is the molecular weight of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline?
The molecular weight of 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline is 211.00 g/mol.
Where can I buy 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline?
You can request a quote for 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-(difluoromethoxy)-2-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.