Trifluoromethyl peroxynitrate
TL;DR: Trifluoromethyl peroxynitrate (CAS 50311-48-3) is a chemical compound with molecular formula CF3NO4 and molecular weight 146.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoromethoxy nitrate
Also Known As: Trifluoromethyl peroxynitrate, trifluoromethoxy nitrate, Trifluoro(nitroperoxy)methane, Trifluormethyl-peroxynitrat, (trifluoromethyl)-peroxynitrate
| Molecular Formula | CF3NO4 |
|---|---|
| Molecular Weight | 146.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.97794 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 50311-48-3 |
|---|---|
| SMILES | C(OO[N+](=O)[O-])(F)(F)F |
| InChIKey | IRCOOTKZKSUTLW-UHFFFAOYSA-N |
Product Overview
Trifluoromethyl peroxynitrate (CAS 50311-48-3), with molecular formula CF3NO4 and molecular weight 146.98 g/mol. IUPAC: trifluoromethoxy nitrate.
Chemical Property Profile of Trifluoromethyl peroxynitrate
Property Insights of Trifluoromethyl peroxynitrate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoromethyl peroxynitrate. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifluoromethyl peroxynitrate. Following Lipinski's Rule of Five, Trifluoromethyl peroxynitrate has 0 hydrogen bond donor(s) and 7 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 Trifluoromethyl peroxynitrate?
The CAS number of Trifluoromethyl peroxynitrate is 50311-48-3.
What is the molecular formula of Trifluoromethyl peroxynitrate?
The molecular formula of Trifluoromethyl peroxynitrate is CF3NO4.
What is the molecular weight of Trifluoromethyl peroxynitrate?
The molecular weight of Trifluoromethyl peroxynitrate is 146.98 g/mol.
Where can I buy Trifluoromethyl peroxynitrate?
You can request a quote for Trifluoromethyl peroxynitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoromethyl peroxynitrate?
Yes, KEHONG BIO provides custom synthesis services for Trifluoromethyl peroxynitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.