1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
TL;DR: 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (CAS 22767-90-4) is a chemical compound with molecular formula C8H11F3O2 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione
Also Known As: 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione, Pivaloyltrifluoroacetone, 1,1,1-Trifluoro-5,5-dimethylhexane-2,4-dione, Trifluoroacetylpivaloylmethane, 5,5-dimethyl-1,1,1-trifluorohexane-2,4-dione
| Molecular Formula | C8H11F3O2 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.07112 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 22767-90-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)C(F)(F)F |
| InChIKey | BVPKYBMUQDZTJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (CAS 22767-90-4), with molecular formula C8H11F3O2 and molecular weight 196.07 g/mol. IUPAC: 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione.
Chemical Property Profile of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
Property Insights of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione has 0 hydrogen bond donor(s) and 5 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-5,5-dimethyl-2,4-hexanedione?
The CAS number of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione is 22767-90-4.
What is the molecular formula of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione?
The molecular formula of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione is C8H11F3O2.
What is the molecular weight of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione?
The molecular weight of 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione is 196.07 g/mol.
Where can I buy 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione?
You can request a quote for 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione 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-5,5-dimethyl-2,4-hexanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.