1-Chloro-1,1,3,3,3-pentafluoro-2-propanone
TL;DR: 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone (CAS 79-53-8) is a chemical compound with molecular formula C3ClF5O and molecular weight 181.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-1,1,3,3,3-pentafluoropropan-2-one
Also Known As: CHLOROPENTAFLUOROACETONE, Pentafluorochloroacetone, C3ClF5O, Pentafluoromonochloroacetone, chlorpentafluoroacetone
| Molecular Formula | C3ClF5O |
|---|---|
| Molecular Weight | 181.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.95578 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 79-53-8 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)C(F)(F)Cl |
| InChIKey | OJUUDWYPNQALHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-1,1,3,3,3-pentafluoro-2-propanone (CAS 79-53-8), with molecular formula C3ClF5O and molecular weight 181.96 g/mol. IUPAC: 1-chloro-1,1,3,3,3-pentafluoropropan-2-one.
Chemical Property Profile of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone
Property Insights of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone 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 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone?
The CAS number of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone is 79-53-8.
What is the molecular formula of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone?
The molecular formula of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone is C3ClF5O.
What is the molecular weight of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone?
The molecular weight of 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone is 181.96 g/mol.
Where can I buy 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone?
You can request a quote for 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-1,1,3,3,3-pentafluoro-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.