3,3-Dichloro-1,1,1-trifluoroacetone hydrate
TL;DR: 3,3-Dichloro-1,1,1-trifluoroacetone hydrate (CAS 126266-75-9) is a chemical compound with molecular formula C3H3Cl2F3O2 and molecular weight 197.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dichloro-1,1,1-trifluoropropan-2-one;hydrate
Also Known As: 3,3-Dichloro-1,1,1-trifluoroacetone hydrate, 1,1-Dichloro-3,3,3-trifluoroacetone hydrate, 3,3-dichloro-1,1,1-trifluoropropan-2-one hydrate, 3,3-dichloro-1,1,1-trifluoroacetone, hydrate, 3,3-dichloro-1,1,1-trifluoropropan-2-one;hydrate
| Molecular Formula | C3H3Cl2F3O2 |
|---|---|
| Molecular Weight | 197.95 g/mol |
| LogP | 1.0968 |
| Topological Polar Surface Area | 48.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.94621 |
| Heavy Atoms | 10 |
| Complexity | 121.40645 |
Chemical Identifiers
| CAS Number | 126266-75-9 |
|---|---|
| SMILES | C(C(=O)C(F)(F)F)(Cl)Cl.O |
Product Overview
3,3-Dichloro-1,1,1-trifluoroacetone hydrate (CAS 126266-75-9), with molecular formula C3H3Cl2F3O2 and molecular weight 197.95 g/mol. IUPAC: 3,3-dichloro-1,1,1-trifluoropropan-2-one;hydrate.
Chemical Property Profile of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate
Property Insights of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate
The XLogP value of 1.0968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dichloro-1,1,1-trifluoroacetone hydrate. With a topological polar surface area (TPSA) of 48.57 Ų, 3,3-Dichloro-1,1,1-trifluoroacetone hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dichloro-1,1,1-trifluoroacetone hydrate 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 3,3-Dichloro-1,1,1-trifluoroacetone hydrate?
The CAS number of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate is 126266-75-9.
What is the molecular formula of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate?
The molecular formula of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate is C3H3Cl2F3O2.
What is the molecular weight of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate?
The molecular weight of 3,3-Dichloro-1,1,1-trifluoroacetone hydrate is 197.95 g/mol.
Where can I buy 3,3-Dichloro-1,1,1-trifluoroacetone hydrate?
You can request a quote for 3,3-Dichloro-1,1,1-trifluoroacetone hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dichloro-1,1,1-trifluoroacetone hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dichloro-1,1,1-trifluoroacetone hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.