Pentafluoroacetone
TL;DR: Pentafluoroacetone (CAS 431-71-0) is a chemical compound with molecular formula C3HF5O and molecular weight 147.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3-pentafluoropropan-2-one
Also Known As: Pentafluoroacetone, 1,1,1,3,3-pentafluoropropan-2-one, 2-Propanone, 1,1,1,3,3-pentafluoro-, 1,1,1,3,3-Pentafluoroacetone, 1,1,1,3,3-pentafluoro-2-propanone
| Molecular Formula | C3HF5O |
|---|---|
| Molecular Weight | 147.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.99475 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 431-71-0 |
|---|---|
| SMILES | C(C(=O)C(F)(F)F)(F)F |
| InChIKey | WQAWXRFLNDAOON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentafluoroacetone (CAS 431-71-0), with molecular formula C3HF5O and molecular weight 147.99 g/mol. IUPAC: 1,1,1,3,3-pentafluoropropan-2-one.
Chemical Property Profile of Pentafluoroacetone
Property Insights of Pentafluoroacetone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluoroacetone. With a topological polar surface area (TPSA) of 17.1 Ų, Pentafluoroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluoroacetone has 0 hydrogen bond donor(s) and 6 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 Pentafluoroacetone?
The CAS number of Pentafluoroacetone is 431-71-0.
What is the molecular formula of Pentafluoroacetone?
The molecular formula of Pentafluoroacetone is C3HF5O.
What is the molecular weight of Pentafluoroacetone?
The molecular weight of Pentafluoroacetone is 147.99 g/mol.
Where can I buy Pentafluoroacetone?
You can request a quote for Pentafluoroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluoroacetone?
Yes, KEHONG BIO provides custom synthesis services for Pentafluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.