2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate
TL;DR: 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate (CAS 101914-05-0) is a chemical compound with molecular formula C11H16F6O3 and molecular weight 310.10037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-yl] acetate
Also Known As: 1,1,1-Trifluoro-5,5-dimethyl-2-trifluoromethyl-2,4-hexanediol 4-acetate ester, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-5-(trifluoromethyl)hexan-3-yl acetate, 2,4-HEXANEDIOL, 5,5-DIMETHYL-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)- 4-ACETATE, Acetic acid, 4-(5,5-dimethyl-2-hydroxy-1,1,1-trifluoro-2-trifluoromethyl)hexyl ester, 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate
Technical Specifications
| Molecular Formula | C11H16F6O3 |
| Molecular Weight | 310.10037 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.10037 Da |
| Heavy Atoms | 20 |
| Complexity | 339.0 |
| SMILES | CC(=O)OC(CC(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C |
| InChIKey | QXMGOCFRHFCKDH-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate
Property Insights of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate
The XLogP value of 3.7 indicates that 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate?
The CAS number of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate is 101914-05-0.
What is the molecular formula of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate?
The molecular formula of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate is C11H16F6O3.
What is the molecular weight of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate?
The molecular weight of 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate is 310.10037 g/mol.
Where can I buy 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate?
You can request a quote for 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate?
Yes, CoreyChem provides custom synthesis services for 2,4-Hexanediol, 5,5-dimethyl-1,1,1-trifluoro-2-(trifluoromethyl)-4-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.