4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine
TL;DR: 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine (CAS 179062-06-7) is a chemical compound with molecular formula C7H6F4N2 and molecular weight 194.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-5-(trifluoromethyl)benzene-1,2-diamine
Also Known As: 4-fluoro-5-(trifluoromethyl)benzene-1,2-diamine, 4,5-Diamino-2-fluorobenzotrifluoride, 3,4-diamino-6-fluorobenzotrifluoride, 1,2-Benzenediamine, 4-fluoro-5-(trifluoromethyl)-, 4,5-Diamino-2-fluorobenzotrifluorid
| Molecular Formula | C7H6F4N2 |
|---|---|
| Molecular Weight | 194.05 g/mol |
| LogP | 2.0089 |
| Topological Polar Surface Area | 52.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.0467 |
| Heavy Atoms | 13 |
| Complexity | 331.99982 |
Chemical Identifiers
| CAS Number | 179062-06-7 |
|---|---|
| SMILES | C1=C(C(=CC(=C1N)N)F)C(F)(F)F |
Product Overview
4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine (CAS 179062-06-7), with molecular formula C7H6F4N2 and molecular weight 194.05 g/mol. IUPAC: 4-fluoro-5-(trifluoromethyl)benzene-1,2-diamine.
Chemical Property Profile of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine
Property Insights of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine
The XLogP value of 2.0089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine. With a topological polar surface area (TPSA) of 52.04 Ų, 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine has 2 hydrogen bond donor(s) and 2 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-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine?
The CAS number of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine is 179062-06-7.
What is the molecular formula of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine?
The molecular formula of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine is C7H6F4N2.
What is the molecular weight of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine?
The molecular weight of 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine is 194.05 g/mol.
Where can I buy 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine?
You can request a quote for 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-5-(trifluoromethyl)benzene-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.