1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione
TL;DR: 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione (CAS 2145-68-8) is a chemical compound with molecular formula C9H11F5O2 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione
Also Known As: 1,1,1,2,2-pentafluoro-6,6-dimethyl-3,5-heptanedione, 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione, KST-1B1774, 7283AD, 6,6-Dimethyl-1,1,1,2,2-pentafluoroheptane-3,5-dione
| Molecular Formula | C9H11F5O2 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.06792 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 2145-68-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)C(C(F)(F)F)(F)F |
| InChIKey | FTTQCEGWFGHNDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione (CAS 2145-68-8), with molecular formula C9H11F5O2 and molecular weight 246.07 g/mol. IUPAC: 1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione.
Chemical Property Profile of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione
Property Insights of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione
The XLogP value of 3.0 indicates that 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione has 0 hydrogen bond donor(s) and 7 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 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione?
The CAS number of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione is 2145-68-8.
What is the molecular formula of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione?
The molecular formula of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione is C9H11F5O2.
What is the molecular weight of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione?
The molecular weight of 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione is 246.07 g/mol.
Where can I buy 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione?
You can request a quote for 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,2-Pentafluoro-6,6-dimethylheptane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.