2'-Trifluoromethyl-biphenyl-3-ylamine
TL;DR: 2'-Trifluoromethyl-biphenyl-3-ylamine (CAS 400744-68-5) is a chemical compound with molecular formula C13H10F3N and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(trifluoromethyl)phenyl]aniline
Also Known As: 2'-Trifluoromethyl-biphenyl-3-ylamine, 3-[2-(trifluoromethyl)phenyl]aniline, 2'-(Trifluoromethyl)-biphenyl-3-amine, 3-(3-(Trifluoromethyl)phenyl)aniline, 2'-(Trifluoromethyl)-3-biphenylamine
| Molecular Formula | C13H10F3N |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.9546 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07654 |
| Heavy Atoms | 17 |
| Complexity | 532.1829 |
Chemical Identifiers
| CAS Number | 400744-68-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC(=CC=C2)N)C(F)(F)F |
Product Overview
2'-Trifluoromethyl-biphenyl-3-ylamine (CAS 400744-68-5), with molecular formula C13H10F3N and molecular weight 237.08 g/mol. IUPAC: 3-[2-(trifluoromethyl)phenyl]aniline.
Chemical Property Profile of 2'-Trifluoromethyl-biphenyl-3-ylamine
Property Insights of 2'-Trifluoromethyl-biphenyl-3-ylamine
The XLogP value of 3.9546 indicates that 2'-Trifluoromethyl-biphenyl-3-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 2'-Trifluoromethyl-biphenyl-3-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Trifluoromethyl-biphenyl-3-ylamine 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 2'-Trifluoromethyl-biphenyl-3-ylamine?
The CAS number of 2'-Trifluoromethyl-biphenyl-3-ylamine is 400744-68-5.
What is the molecular formula of 2'-Trifluoromethyl-biphenyl-3-ylamine?
The molecular formula of 2'-Trifluoromethyl-biphenyl-3-ylamine is C13H10F3N.
What is the molecular weight of 2'-Trifluoromethyl-biphenyl-3-ylamine?
The molecular weight of 2'-Trifluoromethyl-biphenyl-3-ylamine is 237.08 g/mol.
Where can I buy 2'-Trifluoromethyl-biphenyl-3-ylamine?
You can request a quote for 2'-Trifluoromethyl-biphenyl-3-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Trifluoromethyl-biphenyl-3-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Trifluoromethyl-biphenyl-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.