Iodopentafluoroacetone
TL;DR: Iodopentafluoroacetone (CAS 57069-95-1) is a chemical compound with molecular formula C3F5IO and molecular weight 273.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3-pentafluoro-3-iodopropan-2-one
Also Known As: Iodopentafluoroacetone, 1,1,1,3,3-pentafluoro-3-iodopropan-2-one, 5-Nitroindole-2,3-dione, 5833AE, 3-Iodo-1,1,1,3,3-pentafluoroacetone
| Molecular Formula | C3F5IO |
|---|---|
| Molecular Weight | 273.89 g/mol |
| LogP | 2.1456 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.8914 |
| Heavy Atoms | 10 |
| Complexity | 127.9525 |
Chemical Identifiers
| CAS Number | 57069-95-1 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)C(F)(F)I |
Product Overview
Iodopentafluoroacetone (CAS 57069-95-1), with molecular formula C3F5IO and molecular weight 273.89 g/mol. IUPAC: 1,1,1,3,3-pentafluoro-3-iodopropan-2-one.
Chemical Property Profile of Iodopentafluoroacetone
Property Insights of Iodopentafluoroacetone
The XLogP value of 2.1456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iodopentafluoroacetone. With a topological polar surface area (TPSA) of 17.07 Ų, Iodopentafluoroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iodopentafluoroacetone has 0 hydrogen bond donor(s) and 1 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 Iodopentafluoroacetone?
The CAS number of Iodopentafluoroacetone is 57069-95-1.
What is the molecular formula of Iodopentafluoroacetone?
The molecular formula of Iodopentafluoroacetone is C3F5IO.
What is the molecular weight of Iodopentafluoroacetone?
The molecular weight of Iodopentafluoroacetone is 273.89 g/mol.
Where can I buy Iodopentafluoroacetone?
You can request a quote for Iodopentafluoroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodopentafluoroacetone?
Yes, KEHONG BIO provides custom synthesis services for Iodopentafluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.