1-Chloro-3,3,3-trifluoroacetone
TL;DR: 1-Chloro-3,3,3-trifluoroacetone (CAS 431-37-8) is a chemical compound with molecular formula C3H2ClF3O and molecular weight 145.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1,1,1-trifluoropropan-2-one
Also Known As: 1-CHLORO-3,3,3-TRIFLUOROACETONE, 3-chloro-1,1,1-trifluoropropan-2-one, 3-chloro-1,1,1-trifluoroacetone, 3-chloro-1,1,1-trifluoropropanone, 2-Propanone, 3-chloro-1,1,1-trifluoro-
| Molecular Formula | C3H2ClF3O |
|---|---|
| Molecular Weight | 145.97 g/mol |
| LogP | 1.3566 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.97462 |
| Heavy Atoms | 8 |
| Complexity | 97.19188 |
Chemical Identifiers
| CAS Number | 431-37-8 |
|---|---|
| SMILES | C(C(=O)C(F)(F)F)Cl |
Product Overview
1-Chloro-3,3,3-trifluoroacetone (CAS 431-37-8), with molecular formula C3H2ClF3O and molecular weight 145.97 g/mol. IUPAC: 3-chloro-1,1,1-trifluoropropan-2-one.
Chemical Property Profile of 1-Chloro-3,3,3-trifluoroacetone
Property Insights of 1-Chloro-3,3,3-trifluoroacetone
The XLogP value of 1.3566 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3,3,3-trifluoroacetone. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Chloro-3,3,3-trifluoroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3,3,3-trifluoroacetone 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 1-Chloro-3,3,3-trifluoroacetone?
The CAS number of 1-Chloro-3,3,3-trifluoroacetone is 431-37-8.
What is the molecular formula of 1-Chloro-3,3,3-trifluoroacetone?
The molecular formula of 1-Chloro-3,3,3-trifluoroacetone is C3H2ClF3O.
What is the molecular weight of 1-Chloro-3,3,3-trifluoroacetone?
The molecular weight of 1-Chloro-3,3,3-trifluoroacetone is 145.97 g/mol.
Where can I buy 1-Chloro-3,3,3-trifluoroacetone?
You can request a quote for 1-Chloro-3,3,3-trifluoroacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3,3,3-trifluoroacetone?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3,3,3-trifluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.