![1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone structure](/static/products/808/808764-38-7.png)
1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone
TL;DR: 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 808764-38-7) is a chemical compound with molecular formula C9H4F10N2O and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-3(5)-perfluoropropyl-5(3)-trifluoromethylpyrazole, 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-Acetyl-3(5)-heptafluoropropyl-5(3)-(trifluoromethyl)pyrazole, 1-[3-(heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone
| Molecular Formula | C9H4F10N2O |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 3.8514 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.0164 |
| Heavy Atoms | 22 |
| Complexity | 582.1982 |
Chemical Identifiers
| CAS Number | 808764-38-7 |
|---|---|
| SMILES | CC(=O)N1C(=CC(=N1)C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F |
Product Overview
1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 808764-38-7), with molecular formula C9H4F10N2O and molecular weight 346.02 g/mol. IUPAC: 1-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone
Property Insights of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone
The XLogP value of 3.8514 indicates that 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(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, 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(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 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The CAS number of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone is 808764-38-7.
What is the molecular formula of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular formula of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone is C9H4F10N2O.
What is the molecular weight of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The molecular weight of 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone is 346.02 g/mol.
Where can I buy 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
You can request a quote for 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(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 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.