1,1,1-Trichloro-3,3,3-trifluoroacetone
TL;DR: 1,1,1-Trichloro-3,3,3-trifluoroacetone (CAS 758-42-9) is a chemical compound with molecular formula C3Cl3F3O and molecular weight 213.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-3,3,3-trifluoropropan-2-one
Also Known As: 1,1,1-Trichlorotrifluoroacetone, trichlorotrifluoroacetone, 1,1,1-Trichloro-3,3,3-trifluoroacetone, TCTFA, C3Cl3F3O
| Molecular Formula | C3Cl3F3O |
|---|---|
| Molecular Weight | 213.90 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.89668 |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 758-42-9 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)C(Cl)(Cl)Cl |
| InChIKey | AVTAIKNWAIKGEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trichloro-3,3,3-trifluoroacetone (CAS 758-42-9), with molecular formula C3Cl3F3O and molecular weight 213.90 g/mol. IUPAC: 1,1,1-trichloro-3,3,3-trifluoropropan-2-one.
Chemical Property Profile of 1,1,1-Trichloro-3,3,3-trifluoroacetone
Property Insights of 1,1,1-Trichloro-3,3,3-trifluoroacetone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichloro-3,3,3-trifluoroacetone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1-Trichloro-3,3,3-trifluoroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-3,3,3-trifluoroacetone has 0 hydrogen bond donor(s) and 4 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 1,1,1-Trichloro-3,3,3-trifluoroacetone?
The CAS number of 1,1,1-Trichloro-3,3,3-trifluoroacetone is 758-42-9.
What is the molecular formula of 1,1,1-Trichloro-3,3,3-trifluoroacetone?
The molecular formula of 1,1,1-Trichloro-3,3,3-trifluoroacetone is C3Cl3F3O.
What is the molecular weight of 1,1,1-Trichloro-3,3,3-trifluoroacetone?
The molecular weight of 1,1,1-Trichloro-3,3,3-trifluoroacetone is 213.90 g/mol.
Where can I buy 1,1,1-Trichloro-3,3,3-trifluoroacetone?
You can request a quote for 1,1,1-Trichloro-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 1,1,1-Trichloro-3,3,3-trifluoroacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-3,3,3-trifluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.