3-Decyn-2-one, 1,1,1-trifluoro-
TL;DR: 3-Decyn-2-one, 1,1,1-trifluoro- (CAS 85336-10-3) is a chemical compound with molecular formula C10H13F3O and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluorodec-3-yn-2-one
Also Known As: 1,1,1-trifluorodec-3-yn-2-one, 3-Decyn-2-one, 1,1,1-trifluoro-, Trifluoromethyl(1-octynyl) ketone, 1,1,1-trifluoro-3-decyn-2-one, Podophyllic acid piperidyl hydrazone nitroxide radical
| Molecular Formula | C10H13F3O |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.09184 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 85336-10-3 |
|---|---|
| SMILES | CCCCCCC#CC(=O)C(F)(F)F |
| InChIKey | LECHALRQDMTAQM-UHFFFAOYSA-N |
Product Overview
3-Decyn-2-one, 1,1,1-trifluoro- (CAS 85336-10-3), with molecular formula C10H13F3O and molecular weight 206.09 g/mol. IUPAC: 1,1,1-trifluorodec-3-yn-2-one.
Chemical Property Profile of 3-Decyn-2-one, 1,1,1-trifluoro-
Property Insights of 3-Decyn-2-one, 1,1,1-trifluoro-
The XLogP value of 4.7 indicates that 3-Decyn-2-one, 1,1,1-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Decyn-2-one, 1,1,1-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Decyn-2-one, 1,1,1-trifluoro- has 0 hydrogen bond donor(s) and 4 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 3-Decyn-2-one, 1,1,1-trifluoro-?
The CAS number of 3-Decyn-2-one, 1,1,1-trifluoro- is 85336-10-3.
What is the molecular formula of 3-Decyn-2-one, 1,1,1-trifluoro-?
The molecular formula of 3-Decyn-2-one, 1,1,1-trifluoro- is C10H13F3O.
What is the molecular weight of 3-Decyn-2-one, 1,1,1-trifluoro-?
The molecular weight of 3-Decyn-2-one, 1,1,1-trifluoro- is 206.09 g/mol.
Where can I buy 3-Decyn-2-one, 1,1,1-trifluoro-?
You can request a quote for 3-Decyn-2-one, 1,1,1-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Decyn-2-one, 1,1,1-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 3-Decyn-2-one, 1,1,1-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.