3-(Trifluoromethoxy)benzylamine
TL;DR: 3-(Trifluoromethoxy)benzylamine (CAS 93075-57-1) 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.
[3-(trifluoromethoxy)phenyl]methanamine
Also Known As: 3-(Trifluoromethoxy)benzylamine, [3-(trifluoromethoxy)phenyl]methanamine, 3-(trifluoromethoxy)benzyl amine, 3- BENZYLAMINE, 3-Trifluoromethoxybenzylamine
| Molecular Formula | C8H8F3NO |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.1 |
| 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 | 160.0 |
Chemical Identifiers
| CAS Number | 93075-57-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(F)(F)F)CN |
| InChIKey | TUPUHSXMDIWJQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethoxy)benzylamine (CAS 93075-57-1), with molecular formula C8H8F3NO and molecular weight 191.06 g/mol. IUPAC: [3-(trifluoromethoxy)phenyl]methanamine.
Chemical Property Profile of 3-(Trifluoromethoxy)benzylamine
Property Insights of 3-(Trifluoromethoxy)benzylamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethoxy)benzylamine. With a topological polar surface area (TPSA) of 35.3 Ų, 3-(Trifluoromethoxy)benzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(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 3-(Trifluoromethoxy)benzylamine?
The CAS number of 3-(Trifluoromethoxy)benzylamine is 93075-57-1.
What is the molecular formula of 3-(Trifluoromethoxy)benzylamine?
The molecular formula of 3-(Trifluoromethoxy)benzylamine is C8H8F3NO.
What is the molecular weight of 3-(Trifluoromethoxy)benzylamine?
The molecular weight of 3-(Trifluoromethoxy)benzylamine is 191.06 g/mol.
Where can I buy 3-(Trifluoromethoxy)benzylamine?
You can request a quote for 3-(Trifluoromethoxy)benzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethoxy)benzylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethoxy)benzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.