2-Octanone, 1-fluoro-
TL;DR: 2-Octanone, 1-fluoro- (CAS 590-05-6) is a chemical compound with molecular formula C8H15FO and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluorooctan-2-one
Also Known As: 1-fluorooctan-2-one, 1-Fluoro-2-octanone, 2-OCTANONE, 1-FLUORO-, Fluoromethylhexyl ketone, hexyl-fluoromethyl-ketone
| Molecular Formula | C8H15FO |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.11069 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 590-05-6 |
|---|---|
| SMILES | CCCCCCC(=O)CF |
| InChIKey | ULGQTMJOCRMHRB-UHFFFAOYSA-N |
Product Overview
2-Octanone, 1-fluoro- (CAS 590-05-6), with molecular formula C8H15FO and molecular weight 146.11 g/mol. IUPAC: 1-fluorooctan-2-one.
Chemical Property Profile of 2-Octanone, 1-fluoro-
Property Insights of 2-Octanone, 1-fluoro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Octanone, 1-fluoro-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Octanone, 1-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Octanone, 1-fluoro- has 0 hydrogen bond donor(s) and 2 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-Octanone, 1-fluoro-?
The CAS number of 2-Octanone, 1-fluoro- is 590-05-6.
What is the molecular formula of 2-Octanone, 1-fluoro-?
The molecular formula of 2-Octanone, 1-fluoro- is C8H15FO.
What is the molecular weight of 2-Octanone, 1-fluoro-?
The molecular weight of 2-Octanone, 1-fluoro- is 146.11 g/mol.
Where can I buy 2-Octanone, 1-fluoro-?
You can request a quote for 2-Octanone, 1-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octanone, 1-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Octanone, 1-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.