3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine
TL;DR: 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine (CAS 4827-67-2) is a chemical compound with molecular formula C5F9NO and molecular weight 260.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,5,6,6-hexafluoro-2-(trifluoromethyl)oxazine
Also Known As: 3,3,4,5,6,6-hexafluoro-2-(trifluoromethyl)oxazine, 3,3,4,5,6,6-hexa-fluoro-3,6-dihydro-2-(trifluoromethyl)-2h-1,2-oxazine, 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)-3,6-dihydro-2H-1,2-oxazine, 3,3,4,5,6,6-hexafluoro-3,6-dihydro-2-(trifluormethyl)-2H-1,2-oxazine
| Molecular Formula | C5F9NO |
|---|---|
| Molecular Weight | 260.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.9836 |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 4827-67-2 |
|---|---|
| SMILES | C1(=C(C(ON(C1(F)F)C(F)(F)F)(F)F)F)F |
| InChIKey | AYVZGUCPTYVLTG-UHFFFAOYSA-N |
Product Overview
3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine (CAS 4827-67-2), with molecular formula C5F9NO and molecular weight 260.98 g/mol. IUPAC: 3,3,4,5,6,6-hexafluoro-2-(trifluoromethyl)oxazine.
Chemical Property Profile of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine
Property Insights of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine. With a topological polar surface area (TPSA) of 12.5 Ų, 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine?
The CAS number of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine is 4827-67-2.
What is the molecular formula of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine?
The molecular formula of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine is C5F9NO.
What is the molecular weight of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine?
The molecular weight of 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine is 260.98 g/mol.
Where can I buy 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine?
You can request a quote for 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,5,6,6-Hexafluoro-2-(trifluoromethyl)oxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.