1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol
TL;DR: 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol (CAS 66802-58-2) is a chemical compound with molecular formula C5HF11O and molecular weight 285.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-ol
Also Known As: Ccrl 583, 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-ol, N(10)-Tosylisohomoaminopterin, 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol, OCTAFLUORO-2-(TRIFLUOROMETHYL)BUTAN-2-OL
| Molecular Formula | C5HF11O |
|---|---|
| Molecular Weight | 285.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.98517 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 66802-58-2 |
|---|---|
| SMILES | C(C(C(F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | LHMFPLLMFQGGMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol (CAS 66802-58-2), with molecular formula C5HF11O and molecular weight 285.99 g/mol. IUPAC: 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-ol.
Chemical Property Profile of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol
Property Insights of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol
The XLogP value of 3.4 indicates that 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol?
The CAS number of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol is 66802-58-2.
What is the molecular formula of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol?
The molecular formula of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol is C5HF11O.
What is the molecular weight of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol?
The molecular weight of 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol is 285.99 g/mol.
Where can I buy 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol?
You can request a quote for 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.