3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol
TL;DR: 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol (CAS 113787-85-2) is a chemical compound with molecular formula C8H5F3N2O and molecular weight 202.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(trifluoromethyl)diazirin-3-yl]phenol
Also Known As: 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol, CF3-Diazirine-Ph-OH, 3-[3-(trifluoromethyl)diazirin-3-yl]phenol, 3-(Trifluoromethyl)-3-(3-hydroxyphenyl)diazirine, 3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]phenol
Technical Specifications
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.0354 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 45.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.0354 Da |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
| SMILES | C1=CC(=CC(=C1)O)C2(N=N2)C(F)(F)F |
| InChIKey | BGENIUKSOIBFBA-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol
Property Insights of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol. With a topological polar surface area (TPSA) of 45.0 Ų, 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol has 1 hydrogen bond donor(s) and 6 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-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol?
The CAS number of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol is 113787-85-2.
What is the molecular formula of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol?
The molecular formula of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol is C8H5F3N2O.
What is the molecular weight of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol?
The molecular weight of 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol is 202.0354 g/mol.
Where can I buy 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol?
You can request a quote for 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol?
Yes, CoreyChem provides custom synthesis services for 3-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.