3-(2,2,2-Trifluoroethyl)phenol
TL;DR: 3-(2,2,2-Trifluoroethyl)phenol (CAS 161611-53-6) is a chemical compound with molecular formula C8H7F3O and molecular weight 176.0449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,2,2-trifluoroethyl)phenol
Also Known As: 3-(2,2,2-trifluoroethyl)phenol, alpha-trifluoromethyl-m-cresol, 3-(2,2,2-Trifluoro-ethyl)-phenol, BAS 00013918, J3.389.027C
Technical Specifications
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.0449 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.0449 Da |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
| SMILES | C1=CC(=CC(=C1)O)CC(F)(F)F |
| InChIKey | NVLPKNPGWGKEMW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,2,2-Trifluoroethyl)phenol
Property Insights of 3-(2,2,2-Trifluoroethyl)phenol
The XLogP value of 3.0 indicates that 3-(2,2,2-Trifluoroethyl)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-(2,2,2-Trifluoroethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2,2-Trifluoroethyl)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
What is the CAS number of 3-(2,2,2-Trifluoroethyl)phenol?
The CAS number of 3-(2,2,2-Trifluoroethyl)phenol is 161611-53-6.
What is the molecular formula of 3-(2,2,2-Trifluoroethyl)phenol?
The molecular formula of 3-(2,2,2-Trifluoroethyl)phenol is C8H7F3O.
What is the molecular weight of 3-(2,2,2-Trifluoroethyl)phenol?
The molecular weight of 3-(2,2,2-Trifluoroethyl)phenol is 176.0449 g/mol.
Where can I buy 3-(2,2,2-Trifluoroethyl)phenol?
You can request a quote for 3-(2,2,2-Trifluoroethyl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,2,2-Trifluoroethyl)phenol?
Yes, CoreyChem provides custom synthesis services for 3-(2,2,2-Trifluoroethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.