1,1,1-Trifluorohexadec-3-yn-2-one
TL;DR: 1,1,1-Trifluorohexadec-3-yn-2-one (CAS 13762-75-9) is a chemical compound with molecular formula C16H25F3O and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluorohexadec-3-yn-2-one
Also Known As: 1,1,1-trifluorohexadec-3-yn-2-one, 3-Hexadecyn-2-one,1,1,1-trifluoro-, 3-Hexadecyn-2-one,1,1,1-trifluoro, Trifluoromethyl(1-tetradecynyl) ketone, RefChem:213031
| Molecular Formula | C16H25F3O |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 290.18576 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 13762-75-9 |
|---|---|
| SMILES | CCCCCCCCCCCCC#CC(=O)C(F)(F)F |
| InChIKey | FRAAFKLTGDFSIA-UHFFFAOYSA-N |
Product Overview
1,1,1-Trifluorohexadec-3-yn-2-one (CAS 13762-75-9), with molecular formula C16H25F3O and molecular weight 290.19 g/mol. IUPAC: 1,1,1-trifluorohexadec-3-yn-2-one.
Chemical Property Profile of 1,1,1-Trifluorohexadec-3-yn-2-one
Property Insights of 1,1,1-Trifluorohexadec-3-yn-2-one
The XLogP value of 7.9 indicates that 1,1,1-Trifluorohexadec-3-yn-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1-Trifluorohexadec-3-yn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluorohexadec-3-yn-2-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1-Trifluorohexadec-3-yn-2-one?
The CAS number of 1,1,1-Trifluorohexadec-3-yn-2-one is 13762-75-9.
What is the molecular formula of 1,1,1-Trifluorohexadec-3-yn-2-one?
The molecular formula of 1,1,1-Trifluorohexadec-3-yn-2-one is C16H25F3O.
What is the molecular weight of 1,1,1-Trifluorohexadec-3-yn-2-one?
The molecular weight of 1,1,1-Trifluorohexadec-3-yn-2-one is 290.19 g/mol.
Where can I buy 1,1,1-Trifluorohexadec-3-yn-2-one?
You can request a quote for 1,1,1-Trifluorohexadec-3-yn-2-one 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-Trifluorohexadec-3-yn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluorohexadec-3-yn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.