3-Fluoro-5-(trifluoromethyl)phenol
TL;DR: 3-Fluoro-5-(trifluoromethyl)phenol (CAS 172348-46-8) is a chemical compound with molecular formula C7H4F4O and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-5-(trifluoromethyl)phenol
Also Known As: 3-Fluoro-5-(trifluoromethyl)phenol, 3-FLUORO-5-TRIFLUOROMETHYLPHENOL, 5-fluoro-3-(trifluoromethyl)phenol, Phenol, 3-fluoro-5-(trifluoromethyl)-, 1-bromo-3-(phenoxymethyl)benzene
| Molecular Formula | C7H4F4O |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 2.5501 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.01982 |
| Heavy Atoms | 12 |
| Complexity | 271.69812 |
Chemical Identifiers
| CAS Number | 172348-46-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1O)F)C(F)(F)F |
Product Overview
3-Fluoro-5-(trifluoromethyl)phenol (CAS 172348-46-8), with molecular formula C7H4F4O and molecular weight 180.02 g/mol. IUPAC: 3-fluoro-5-(trifluoromethyl)phenol.
Chemical Property Profile of 3-Fluoro-5-(trifluoromethyl)phenol
Property Insights of 3-Fluoro-5-(trifluoromethyl)phenol
The XLogP value of 2.5501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-5-(trifluoromethyl)phenol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Fluoro-5-(trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-5-(trifluoromethyl)phenol 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 3-Fluoro-5-(trifluoromethyl)phenol?
The CAS number of 3-Fluoro-5-(trifluoromethyl)phenol is 172348-46-8.
What is the molecular formula of 3-Fluoro-5-(trifluoromethyl)phenol?
The molecular formula of 3-Fluoro-5-(trifluoromethyl)phenol is C7H4F4O.
What is the molecular weight of 3-Fluoro-5-(trifluoromethyl)phenol?
The molecular weight of 3-Fluoro-5-(trifluoromethyl)phenol is 180.02 g/mol.
Where can I buy 3-Fluoro-5-(trifluoromethyl)phenol?
You can request a quote for 3-Fluoro-5-(trifluoromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-5-(trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-5-(trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.