2-Amino-4-(trifluoromethyl)phenol
TL;DR: 2-Amino-4-(trifluoromethyl)phenol (CAS 454-81-9) is a chemical compound with molecular formula C7H6F3NO and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(trifluoromethyl)phenol
Also Known As: 2-amino-4-(trifluoromethyl)phenol, 3-amino-4-hydroxybenzotrifluoride, 2-Amino-4-trifluoromethylphenol, 2-HYDROXY-5-(TRIFLUOROMETHYL)ANILINE, 4-trifluoromethyl-2-aminophenol
| Molecular Formula | C7H6F3NO |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.04015 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 454-81-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)O |
| InChIKey | BHTKIYIEMXRHGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4-(trifluoromethyl)phenol (CAS 454-81-9), with molecular formula C7H6F3NO and molecular weight 177.04 g/mol. IUPAC: 2-amino-4-(trifluoromethyl)phenol.
Chemical Property Profile of 2-Amino-4-(trifluoromethyl)phenol
Property Insights of 2-Amino-4-(trifluoromethyl)phenol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(trifluoromethyl)phenol. With a topological polar surface area (TPSA) of 46.3 Ų, 2-Amino-4-(trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-4-(trifluoromethyl)phenol 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-Amino-4-(trifluoromethyl)phenol?
The CAS number of 2-Amino-4-(trifluoromethyl)phenol is 454-81-9.
What is the molecular formula of 2-Amino-4-(trifluoromethyl)phenol?
The molecular formula of 2-Amino-4-(trifluoromethyl)phenol is C7H6F3NO.
What is the molecular weight of 2-Amino-4-(trifluoromethyl)phenol?
The molecular weight of 2-Amino-4-(trifluoromethyl)phenol is 177.04 g/mol.
Where can I buy 2-Amino-4-(trifluoromethyl)phenol?
You can request a quote for 2-Amino-4-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.