1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol
TL;DR: 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol (CAS 34844-48-9) is a chemical compound with molecular formula C6H8F6O2 and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
Also Known As: 1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol, 1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol, 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol, KST-1B3550, 1,1,1-Trifluoro-2-trifluoromethylpentane-2,4-diol
| Molecular Formula | C6H8F6O2 |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.04285 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 34844-48-9 |
|---|---|
| SMILES | CC(CC(C(F)(F)F)(C(F)(F)F)O)O |
| InChIKey | QAJCOMPEAMJMEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol (CAS 34844-48-9), with molecular formula C6H8F6O2 and molecular weight 226.04 g/mol. IUPAC: 1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol.
Chemical Property Profile of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol
Property Insights of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol has 2 hydrogen bond donor(s) and 8 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 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol?
The CAS number of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol is 34844-48-9.
What is the molecular formula of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol?
The molecular formula of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol is C6H8F6O2.
What is the molecular weight of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol?
The molecular weight of 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol is 226.04 g/mol.
Where can I buy 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol?
You can request a quote for 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol 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-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-(trifluoromethyl)-2,4-pentanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.