4-(Trifluoroacetyl)toluene
TL;DR: 4-(Trifluoroacetyl)toluene (CAS 7304-32-7) is a chemical compound with molecular formula C9H7F3O and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(4-methylphenyl)ethanone
Also Known As: 4-(Trifluoroacetyl)toluene, 2,2,2-trifluoro-1-(p-tolyl)ethanone, null, 4'-Methyl-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-p-tolylethanone
| Molecular Formula | C9H7F3O |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.0449 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 7304-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(F)(F)F |
| InChIKey | DYILUJUELMWXAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoroacetyl)toluene (CAS 7304-32-7), with molecular formula C9H7F3O and molecular weight 188.04 g/mol. IUPAC: 2,2,2-trifluoro-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 4-(Trifluoroacetyl)toluene
Property Insights of 4-(Trifluoroacetyl)toluene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoroacetyl)toluene. With a topological polar surface area (TPSA) of 17.1 Ų, 4-(Trifluoroacetyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoroacetyl)toluene 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 4-(Trifluoroacetyl)toluene?
The CAS number of 4-(Trifluoroacetyl)toluene is 7304-32-7.
What is the molecular formula of 4-(Trifluoroacetyl)toluene?
The molecular formula of 4-(Trifluoroacetyl)toluene is C9H7F3O.
What is the molecular weight of 4-(Trifluoroacetyl)toluene?
The molecular weight of 4-(Trifluoroacetyl)toluene is 188.04 g/mol.
Where can I buy 4-(Trifluoroacetyl)toluene?
You can request a quote for 4-(Trifluoroacetyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoroacetyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoroacetyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.