![2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone structure](/static/products/959/959583-02-9.png)
2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
TL;DR: 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 959583-02-9) is a chemical compound with molecular formula C9HF13N2O and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone, 5(3)-(Heptafluoropropyl)-1-(trifluoroacetyl)-3(5)-(trifluoromethyl)pyrazole, 2,2,2-trifluoro-1-[5-(heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
| Molecular Formula | C9HF13N2O |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 4.3938 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.98813 |
| Heavy Atoms | 25 |
| Complexity | 662.51025 |
Chemical Identifiers
| CAS Number | 959583-02-9 |
|---|---|
| SMILES | C1=C(N(N=C1C(F)(F)F)C(=O)C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 959583-02-9), with molecular formula C9HF13N2O and molecular weight 399.99 g/mol. IUPAC: 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Property Insights of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone
The XLogP value of 4.3938 indicates that 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone 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 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The CAS number of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone is 959583-02-9.
What is the molecular formula of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular formula of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone is C9HF13N2O.
What is the molecular weight of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular weight of 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone is 399.99 g/mol.
Where can I buy 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
You can request a quote for 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-1-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.