3-(Trifluoromethyl)benzophenone
TL;DR: 3-(Trifluoromethyl)benzophenone (CAS 728-81-4) is a chemical compound with molecular formula C14H9F3O and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[3-(trifluoromethyl)phenyl]methanone
Also Known As: 3-(Trifluoromethyl)benzophenone, fxffr cvr, Phenyl(3-(trifluoromethyl)phenyl)methanone, zlchem 1027, Phenyl[3-(trifluoromethyl)phenyl]methanone
| Molecular Formula | C14H9F3O |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06055 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 728-81-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(F)(F)F |
| InChIKey | IOXDAYKKVHAKSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)benzophenone (CAS 728-81-4), with molecular formula C14H9F3O and molecular weight 250.06 g/mol. IUPAC: phenyl-[3-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of 3-(Trifluoromethyl)benzophenone
Property Insights of 3-(Trifluoromethyl)benzophenone
The XLogP value of 4.1 indicates that 3-(Trifluoromethyl)benzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(Trifluoromethyl)benzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)benzophenone 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 3-(Trifluoromethyl)benzophenone?
The CAS number of 3-(Trifluoromethyl)benzophenone is 728-81-4.
What is the molecular formula of 3-(Trifluoromethyl)benzophenone?
The molecular formula of 3-(Trifluoromethyl)benzophenone is C14H9F3O.
What is the molecular weight of 3-(Trifluoromethyl)benzophenone?
The molecular weight of 3-(Trifluoromethyl)benzophenone is 250.06 g/mol.
Where can I buy 3-(Trifluoromethyl)benzophenone?
You can request a quote for 3-(Trifluoromethyl)benzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)benzophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)benzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.