2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-
TL;DR: 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- (CAS 461-92-7) 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-6-methylheptane-2,4-dione
Also Known As: 1,1,1-Trifluoro-6-methylheptane-2,4-dione, Isovaleryltrifluoroacetone, Trifluoroacetylisovalerylmethane, AKOS MSC-0324, 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-
| Molecular Formula | C8H11F3O2 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.07112 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 461-92-7 |
|---|---|
| SMILES | CC(C)CC(=O)CC(=O)C(F)(F)F |
| InChIKey | XWBVTGFPQXBNOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- (CAS 461-92-7), with molecular formula C8H11F3O2 and molecular weight 196.07 g/mol. IUPAC: 1,1,1-trifluoro-6-methylheptane-2,4-dione.
Chemical Property Profile of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-
Property Insights of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- 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 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-?
The CAS number of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- is 461-92-7.
What is the molecular formula of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-?
The molecular formula of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- is C8H11F3O2.
What is the molecular weight of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-?
The molecular weight of 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- is 196.07 g/mol.
Where can I buy 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-?
You can request a quote for 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Heptanedione, 1,1,1-trifluoro-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.