Benzyl-(2,2,2-trifluoro-ethyl)-amine
TL;DR: Benzyl-(2,2,2-trifluoro-ethyl)-amine (CAS 85963-50-4) is a chemical compound with molecular formula C9H10F3N and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2,2,2-trifluoroethanamine
Also Known As: N-benzyl-2,2,2-trifluoroethanamine, Benzyl-(2,2,2-trifluoro-ethyl)-amine, benzyl(2,2,2-trifluoroethyl)amine, N-Benzyl-2,2,2-trifluoroethan-1-amine, N-benzyl-2,2,2-trifluoro-ethanamine
| Molecular Formula | C9H10F3N |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.3385 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07654 |
| Heavy Atoms | 13 |
| Complexity | 242.78677 |
Chemical Identifiers
| CAS Number | 85963-50-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC(F)(F)F |
Product Overview
Benzyl-(2,2,2-trifluoro-ethyl)-amine (CAS 85963-50-4), with molecular formula C9H10F3N and molecular weight 189.08 g/mol. IUPAC: N-benzyl-2,2,2-trifluoroethanamine.
Chemical Property Profile of Benzyl-(2,2,2-trifluoro-ethyl)-amine
Property Insights of Benzyl-(2,2,2-trifluoro-ethyl)-amine
The XLogP value of 2.3385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl-(2,2,2-trifluoro-ethyl)-amine. With a topological polar surface area (TPSA) of 12.03 Ų, Benzyl-(2,2,2-trifluoro-ethyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl-(2,2,2-trifluoro-ethyl)-amine 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 Benzyl-(2,2,2-trifluoro-ethyl)-amine?
The CAS number of Benzyl-(2,2,2-trifluoro-ethyl)-amine is 85963-50-4.
What is the molecular formula of Benzyl-(2,2,2-trifluoro-ethyl)-amine?
The molecular formula of Benzyl-(2,2,2-trifluoro-ethyl)-amine is C9H10F3N.
What is the molecular weight of Benzyl-(2,2,2-trifluoro-ethyl)-amine?
The molecular weight of Benzyl-(2,2,2-trifluoro-ethyl)-amine is 189.08 g/mol.
Where can I buy Benzyl-(2,2,2-trifluoro-ethyl)-amine?
You can request a quote for Benzyl-(2,2,2-trifluoro-ethyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl-(2,2,2-trifluoro-ethyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Benzyl-(2,2,2-trifluoro-ethyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.