Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
TL;DR: Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- (CAS 69409-98-9) is a chemical compound with molecular formula C8H7ClF3N and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-3-(trifluoromethyl)phenyl]methanamine
Also Known As: 4-Chloro-3-(trifluoromethyl)benzylamine, (4-Chloro-3-(trifluoromethyl)phenyl)methanamine, Benzylamine der, z1r dg cxfff, [4-chloro-3-(trifluoromethyl)phenyl]methanamine
| Molecular Formula | C8H7ClF3N |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02191 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 69409-98-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN)C(F)(F)F)Cl |
| InChIKey | SRHQOQMNBVOXCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- (CAS 69409-98-9), with molecular formula C8H7ClF3N and molecular weight 209.02 g/mol. IUPAC: [4-chloro-3-(trifluoromethyl)phenyl]methanamine.
Chemical Property Profile of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
Property Insights of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 26.0 Ų, Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 4 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 Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-?
The CAS number of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- is 69409-98-9.
What is the molecular formula of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-?
The molecular formula of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- is C8H7ClF3N.
What is the molecular weight of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-?
The molecular weight of Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- is 209.02 g/mol.
Where can I buy Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-?
You can request a quote for Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, 4-chloro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.