3-(Trifluoromethyl)phenol
TL;DR: 3-(Trifluoromethyl)phenol (CAS 98-17-9) is a chemical compound with molecular formula C7H5F3O and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)phenol
Also Known As: 3-(Trifluoromethyl)phenol, 3-Trifluoromethylphenol, 3-Hydroxybenzotrifluoride, m-Hydroxybenzotrifluoride, m-trifluoromethylphenol
| Molecular Formula | C7H5F3O |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.02925 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 98-17-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)C(F)(F)F |
| InChIKey | UGEJOEBBMPOJMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)phenol (CAS 98-17-9), with molecular formula C7H5F3O and molecular weight 162.03 g/mol. IUPAC: 3-(trifluoromethyl)phenol.
Chemical Property Profile of 3-(Trifluoromethyl)phenol
Property Insights of 3-(Trifluoromethyl)phenol
The XLogP value of 3.0 indicates that 3-(Trifluoromethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-(Trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)phenol has 1 hydrogen bond donor(s) and 4 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-(Trifluoromethyl)phenol?
The CAS number of 3-(Trifluoromethyl)phenol is 98-17-9.
What is the molecular formula of 3-(Trifluoromethyl)phenol?
The molecular formula of 3-(Trifluoromethyl)phenol is C7H5F3O.
What is the molecular weight of 3-(Trifluoromethyl)phenol?
The molecular weight of 3-(Trifluoromethyl)phenol is 162.03 g/mol.
Where can I buy 3-(Trifluoromethyl)phenol?
You can request a quote for 3-(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-(Trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.