![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 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C10H7F3O2 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.4771 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03981 |
| Heavy Atoms | 15 |
| Complexity | 390.1237 |
Chemical Identifiers
| CAS Number | 10557-13-8 |
|---|---|
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)C(F)(F)F |
Product Overview
1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione (CAS 10557-13-8), with molecular formula C10H7F3O2 and molecular weight 216.04 g/mol. IUPAC: 1-[4-(trifluoromethyl)phenyl]propane-1,2-dione.
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 2.4771 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 34.14 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 2 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-[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 216.04 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(Trifluoromethyl)phenyl]propane-1,2-dione?
Yes, KEHONG BIO 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.