5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione
TL;DR: 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione (CAS 144128-67-6) is a chemical compound with molecular formula C13H11F3O2 and molecular weight 256.0711 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-(trifluoromethyl)phenyl]cyclohexane-1,3-dione
Also Known As: 5-(3-(TRIFLUOROMETHYL)PHENYL)CYCLOHEXANE-1,3-DIONE, 5-[3-(trifluoromethyl)phenyl]cyclohexane-1,3-dione, Maybridge3_006530, 1,3-Cyclohexanedione, 5-[3-(trifluoromethyl)phenyl]-, 4353AD
Technical Specifications
| Molecular Formula | C13H11F3O2 |
| Molecular Weight | 256.0711 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0711 Da |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
| SMILES | C1C(CC(=O)CC1=O)C2=CC(=CC=C2)C(F)(F)F |
| InChIKey | FWTLOIJYBHLVCC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione
Property Insights of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione 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
What is the CAS number of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione?
The CAS number of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione is 144128-67-6.
What is the molecular formula of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione?
The molecular formula of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione is C13H11F3O2.
What is the molecular weight of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione?
The molecular weight of 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione is 256.0711 g/mol.
Where can I buy 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione?
You can request a quote for 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 5-(3-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.