1-Bromo-2-(trifluoromethyl)naphthalene
TL;DR: 1-Bromo-2-(trifluoromethyl)naphthalene (CAS 117539-58-9) is a chemical compound with molecular formula C11H6BrF3 and molecular weight 273.9605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2-(trifluoromethyl)naphthalene
Also Known As: 1-bromo-2-(trifluoromethyl)naphthalene, 1-Bromo-2-trifluoromethyl-naphthalene
Technical Specifications
| Molecular Formula | C11H6BrF3 |
| Molecular Weight | 273.9605 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.9605 Da |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2Br)C(F)(F)F |
| InChIKey | RFOANEAFTSCOBB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-2-(trifluoromethyl)naphthalene
Property Insights of 1-Bromo-2-(trifluoromethyl)naphthalene
The XLogP value of 4.7 indicates that 1-Bromo-2-(trifluoromethyl)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-(trifluoromethyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-(trifluoromethyl)naphthalene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Bromo-2-(trifluoromethyl)naphthalene?
The CAS number of 1-Bromo-2-(trifluoromethyl)naphthalene is 117539-58-9.
What is the molecular formula of 1-Bromo-2-(trifluoromethyl)naphthalene?
The molecular formula of 1-Bromo-2-(trifluoromethyl)naphthalene is C11H6BrF3.
What is the molecular weight of 1-Bromo-2-(trifluoromethyl)naphthalene?
The molecular weight of 1-Bromo-2-(trifluoromethyl)naphthalene is 273.9605 g/mol.
Where can I buy 1-Bromo-2-(trifluoromethyl)naphthalene?
You can request a quote for 1-Bromo-2-(trifluoromethyl)naphthalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-2-(trifluoromethyl)naphthalene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-2-(trifluoromethyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.