4-(Trifluoromethyl)phenol
TL;DR: 4-(Trifluoromethyl)phenol (CAS 402-45-9) 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.
4-(trifluoromethyl)phenol
Also Known As: 4-(Trifluoromethyl)phenol, 4-Trifluoromethylphenol, 4-Hydroxybenzotrifluoride, p-trifluoromethylphenol, alpha,alpha,alpha-Trifluoro-p-cresol
| Molecular Formula | C7H5F3O |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.8 |
| 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 | 124.0 |
Chemical Identifiers
| CAS Number | 402-45-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)O |
| InChIKey | BAYGVMXZJBFEMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)phenol (CAS 402-45-9), with molecular formula C7H5F3O and molecular weight 162.03 g/mol. IUPAC: 4-(trifluoromethyl)phenol.
Chemical Property Profile of 4-(Trifluoromethyl)phenol
Property Insights of 4-(Trifluoromethyl)phenol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)phenol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-(Trifluoromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(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 4-(Trifluoromethyl)phenol?
The CAS number of 4-(Trifluoromethyl)phenol is 402-45-9.
What is the molecular formula of 4-(Trifluoromethyl)phenol?
The molecular formula of 4-(Trifluoromethyl)phenol is C7H5F3O.
What is the molecular weight of 4-(Trifluoromethyl)phenol?
The molecular weight of 4-(Trifluoromethyl)phenol is 162.03 g/mol.
Where can I buy 4-(Trifluoromethyl)phenol?
You can request a quote for 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 4-(Trifluoromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.