![1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol structure](/static/products/803/80360-42-5.png)
1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol
TL;DR: 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol (CAS 80360-42-5) is a chemical compound with molecular formula C16H13F12NO2 and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol
Also Known As: 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol, 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluorom, 1,1,1,3,3,3-Hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-8-yl]propan-2-ol, 2H-3,1-Benzoxazine-8-methanol, 1,4-dihydro-2,2,6-trimethyl-.alpha.,.alpha.,4,4-tetrakis(trifluoromethyl)-
| Molecular Formula | C16H13F12NO2 |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 1 |
| Exact Mass | 479.07547 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 80360-42-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)NC(OC2(C(F)(F)F)C(F)(F)F)(C)C |
| InChIKey | HQBAGNRRRIAUKO-UHFFFAOYSA-N |
Product Overview
1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol (CAS 80360-42-5), with molecular formula C16H13F12NO2 and molecular weight 479.08 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol.
Chemical Property Profile of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol
Property Insights of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol
The XLogP value of 5.7 indicates that 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol?
The CAS number of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol is 80360-42-5.
What is the molecular formula of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol?
The molecular formula of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol is C16H13F12NO2.
What is the molecular weight of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol?
The molecular weight of 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol is 479.08 g/mol.
Where can I buy 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol?
You can request a quote for 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-hexafluoro-2-[2,2,6-trimethyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.