![1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione structure](/static/products/1055/10557-13-8.webp)
1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione
TL;DR: 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione (CAS 10557-13-8) is a chemical compound with molecular formula C10H7F3O2 and molecular weight 216.03981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(trifluoromethyl)phenyl]propane-1,2-dione
Also Known As: 1-[4-(trifluoromethyl)phenyl]propane-1,2-dione, 1-(4-Trifluoromethylphenyl)-1,2-propanedione, .syn-N-Methyl-methyl-benzalamin, 1-(4-trifluoromethylphenyl)-1,2-propandione, 1-(4-(trifluoromethyl)phenyl)propane-1,2-dione
Technical Specifications
| Molecular Formula | C10H7F3O2 |
| Molecular Weight | 216.03981 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03981 Da |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | FAKCECCBNBDCNE-UHFFFAOYSA-N |
Chemical Property Profile of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione
Property Insights of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Trifluoromethyl)phenyl]propane-1,2-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 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione?
The CAS number of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione is 10557-13-8.
What is the molecular formula of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione?
The molecular formula of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione is C10H7F3O2.
What is the molecular weight of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione?
The molecular weight of 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione is 216.03981 g/mol.
Where can I buy 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione?
You can request a quote for 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione?
Yes, CoreyChem provides custom synthesis services for 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.