2,3-Diaminobenzotrifluoride
TL;DR: 2,3-Diaminobenzotrifluoride (CAS 360-60-1) is a chemical compound with molecular formula C7H7F3N2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)benzene-1,2-diamine
Also Known As: 3-(trifluoromethyl)benzene-1,2-diamine, 2,3-Diaminobenzotrifluoride, diaminobenzotrifluoride, 3-Trifluoromethyl-benzene-1,2-diamine, 3-trifluoromethyl-o-phenylenediamine
| Molecular Formula | C7H7F3N2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05614 |
| Heavy Atoms | 12 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 360-60-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)N)N)C(F)(F)F |
| InChIKey | PQFRTJPVZSPBFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Diaminobenzotrifluoride (CAS 360-60-1), with molecular formula C7H7F3N2 and molecular weight 176.06 g/mol. IUPAC: 3-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of 2,3-Diaminobenzotrifluoride
Property Insights of 2,3-Diaminobenzotrifluoride
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Diaminobenzotrifluoride. With a topological polar surface area (TPSA) of 52.0 Ų, 2,3-Diaminobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Diaminobenzotrifluoride has 2 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 2,3-Diaminobenzotrifluoride?
The CAS number of 2,3-Diaminobenzotrifluoride is 360-60-1.
What is the molecular formula of 2,3-Diaminobenzotrifluoride?
The molecular formula of 2,3-Diaminobenzotrifluoride is C7H7F3N2.
What is the molecular weight of 2,3-Diaminobenzotrifluoride?
The molecular weight of 2,3-Diaminobenzotrifluoride is 176.06 g/mol.
Where can I buy 2,3-Diaminobenzotrifluoride?
You can request a quote for 2,3-Diaminobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diaminobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diaminobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.