3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine
TL;DR: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine (CAS 261763-07-9) is a chemical compound with molecular formula C8H6ClF4N and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine
Also Known As: 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine, (3-Chloro-2-fluoro-5-(trifluoromethyl)phenyl)methanamine, [3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine, 3-Chloro-2-fluoro-5(trifluoromethyl)benzylamine, BENZENEMETHANAMINE, 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)-
| Molecular Formula | C8H6ClF4N |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 2.9566 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.0125 |
| Heavy Atoms | 14 |
| Complexity | 347.9299 |
Chemical Identifiers
| CAS Number | 261763-07-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CN)F)Cl)C(F)(F)F |
Product Overview
3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine (CAS 261763-07-9), with molecular formula C8H6ClF4N and molecular weight 227.01 g/mol. IUPAC: [3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine.
Chemical Property Profile of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine
Property Insights of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine
The XLogP value of 2.9566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine has 1 hydrogen bond donor(s) and 1 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-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine?
The CAS number of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine is 261763-07-9.
What is the molecular formula of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine?
The molecular formula of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine is C8H6ClF4N.
What is the molecular weight of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine?
The molecular weight of 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine is 227.01 g/mol.
Where can I buy 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine?
You can request a quote for 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-fluoro-5-(trifluoromethyl)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.