2,4-Hexanedione, 1,1,1-trifluoro-
TL;DR: 2,4-Hexanedione, 1,1,1-trifluoro- (CAS 400-54-4) is a chemical compound with molecular formula C6H7F3O2 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluorohexane-2,4-dione
Also Known As: 1,1,1-Trifluorohexane-2,4-dione, 1,1,1-Trifluoro-2,4-hexanedione, 2,4-Hexanedione, 1,1,1-trifluoro-, 1,1,1-Trifluorohexan-2,4-dione, 1-(Trifluoroacetyl)butan-2-one
| Molecular Formula | C6H7F3O2 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.03981 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 400-54-4 |
|---|---|
| SMILES | CCC(=O)CC(=O)C(F)(F)F |
| InChIKey | SBRYTXXHTKCMFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Hexanedione, 1,1,1-trifluoro- (CAS 400-54-4), with molecular formula C6H7F3O2 and molecular weight 168.04 g/mol. IUPAC: 1,1,1-trifluorohexane-2,4-dione.
Chemical Property Profile of 2,4-Hexanedione, 1,1,1-trifluoro-
Property Insights of 2,4-Hexanedione, 1,1,1-trifluoro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexanedione, 1,1,1-trifluoro-. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4-Hexanedione, 1,1,1-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexanedione, 1,1,1-trifluoro- has 0 hydrogen bond donor(s) and 5 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 2,4-Hexanedione, 1,1,1-trifluoro-?
The CAS number of 2,4-Hexanedione, 1,1,1-trifluoro- is 400-54-4.
What is the molecular formula of 2,4-Hexanedione, 1,1,1-trifluoro-?
The molecular formula of 2,4-Hexanedione, 1,1,1-trifluoro- is C6H7F3O2.
What is the molecular weight of 2,4-Hexanedione, 1,1,1-trifluoro-?
The molecular weight of 2,4-Hexanedione, 1,1,1-trifluoro- is 168.04 g/mol.
Where can I buy 2,4-Hexanedione, 1,1,1-trifluoro-?
You can request a quote for 2,4-Hexanedione, 1,1,1-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Hexanedione, 1,1,1-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexanedione, 1,1,1-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.