4-(Trifluoromethoxy)benzylamine
TL;DR: 4-(Trifluoromethoxy)benzylamine (CAS 31385-31-6) is a chemical compound with molecular formula C8H8F3NO and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethoxy)phenyl]methanamine
Also Known As: 4-(Trifluoromethoxy)benzylamine, (4-(trifluoromethoxy)phenyl)methanamine, z1r doxfff, [4-(Trifluoromethoxy)phenyl]methanamine, 1-[4-(trifluoromethoxy)phenyl]methanamine
| Molecular Formula | C8H8F3NO |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0558 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 31385-31-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CN)OC(F)(F)F |
| InChIKey | DBGROTRFYBSUTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethoxy)benzylamine (CAS 31385-31-6), with molecular formula C8H8F3NO and molecular weight 191.06 g/mol. IUPAC: [4-(trifluoromethoxy)phenyl]methanamine.
Chemical Property Profile of 4-(Trifluoromethoxy)benzylamine
Property Insights of 4-(Trifluoromethoxy)benzylamine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethoxy)benzylamine. With a topological polar surface area (TPSA) of 35.3 Ų, 4-(Trifluoromethoxy)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethoxy)benzylamine 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-(Trifluoromethoxy)benzylamine?
The CAS number of 4-(Trifluoromethoxy)benzylamine is 31385-31-6.
What is the molecular formula of 4-(Trifluoromethoxy)benzylamine?
The molecular formula of 4-(Trifluoromethoxy)benzylamine is C8H8F3NO.
What is the molecular weight of 4-(Trifluoromethoxy)benzylamine?
The molecular weight of 4-(Trifluoromethoxy)benzylamine is 191.06 g/mol.
Where can I buy 4-(Trifluoromethoxy)benzylamine?
You can request a quote for 4-(Trifluoromethoxy)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethoxy)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethoxy)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.