4,4,4-Trifluoroacetoacetic acid chloride
TL;DR: 4,4,4-Trifluoroacetoacetic acid chloride (CAS 2261-53-2) is a chemical compound with molecular formula C4H2ClF3O2 and molecular weight 173.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-oxobutanoyl chloride
Also Known As: 4,4,4-Trifluoro-3-oxobutanoyl chloride, 4,4,4-Trifluoroacetoacetic acid chloride, 4,4,4-trifluoro-3-oxo-butanoyl Chloride, 4,4,4-Trifluoro-3-oxobutanoylchloride, J2.012.834H
| Molecular Formula | C4H2ClF3O2 |
|---|---|
| Molecular Weight | 173.97 g/mol |
| LogP | 1.2733 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.96954 |
| Heavy Atoms | 10 |
| Complexity | 162.37587 |
Chemical Identifiers
| CAS Number | 2261-53-2 |
|---|---|
| SMILES | C(C(=O)C(F)(F)F)C(=O)Cl |
Product Overview
4,4,4-Trifluoroacetoacetic acid chloride (CAS 2261-53-2), with molecular formula C4H2ClF3O2 and molecular weight 173.97 g/mol. IUPAC: 4,4,4-trifluoro-3-oxobutanoyl chloride.
Chemical Property Profile of 4,4,4-Trifluoroacetoacetic acid chloride
Property Insights of 4,4,4-Trifluoroacetoacetic acid chloride
The XLogP value of 1.2733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoroacetoacetic acid chloride. With a topological polar surface area (TPSA) of 34.14 Ų, 4,4,4-Trifluoroacetoacetic acid chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoroacetoacetic acid chloride 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 4,4,4-Trifluoroacetoacetic acid chloride?
The CAS number of 4,4,4-Trifluoroacetoacetic acid chloride is 2261-53-2.
What is the molecular formula of 4,4,4-Trifluoroacetoacetic acid chloride?
The molecular formula of 4,4,4-Trifluoroacetoacetic acid chloride is C4H2ClF3O2.
What is the molecular weight of 4,4,4-Trifluoroacetoacetic acid chloride?
The molecular weight of 4,4,4-Trifluoroacetoacetic acid chloride is 173.97 g/mol.
Where can I buy 4,4,4-Trifluoroacetoacetic acid chloride?
You can request a quote for 4,4,4-Trifluoroacetoacetic acid chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluoroacetoacetic acid chloride?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoroacetoacetic acid chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.