2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-
TL;DR: 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- (CAS 101858-31-5) is a chemical compound with molecular formula C9H10F6O3 and molecular weight 280.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8,8-trifluoro-7-hydroxy-7-(trifluoromethyl)octane-2,5-dione
Also Known As: 8,8,8-trifluoro-7-hydroxy-7-(trifluoromethyl)octane-2,5-dione, NCI60_022137, 7-Hydroxy-8,8,8-trifluoro-7-trifluoromethyl-2,5-octanedione, 2,5-OCTANEDIONE, 7-HYDROXY-8,8,8-TRIFLUORO-7-TRIFLUOROMETHYL-, 8,8,8-Trifluoro-7-hydroxy-7-(trifluoromethyl)-2,5-octanedione
| Molecular Formula | C9H10F6O3 |
|---|---|
| Molecular Weight | 280.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.0534 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 101858-31-5 |
|---|---|
| SMILES | CC(=O)CCC(=O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | YAQPNPYBHOXZOJ-UHFFFAOYSA-N |
Product Overview
2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- (CAS 101858-31-5), with molecular formula C9H10F6O3 and molecular weight 280.05 g/mol. IUPAC: 8,8,8-trifluoro-7-hydroxy-7-(trifluoromethyl)octane-2,5-dione.
Chemical Property Profile of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-
Property Insights of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- 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
Frequently Asked Questions
What is the CAS number of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-?
The CAS number of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- is 101858-31-5.
What is the molecular formula of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-?
The molecular formula of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- is C9H10F6O3.
What is the molecular weight of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-?
The molecular weight of 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- is 280.05 g/mol.
Where can I buy 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-?
You can request a quote for 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Octanedione, 7-hydroxy-8,8,8-trifluoro-7-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.