2,2,2-Trifluoroacetophenone
TL;DR: 2,2,2-Trifluoroacetophenone (CAS 434-45-7) is a chemical compound with molecular formula C8H5F3O and molecular weight 174.02925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-1-phenylethanone
Also Known As: Trifluoroacetophenone, 2,2,2-TRIFLUOROACETOPHENONE, 2,2,2-Trifluoro-1-phenylethanone, Trifluoromethyl phenyl ketone, Phenyl trifluoromethyl ketone
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5F3O |
| Molecular Weight | 174.02925 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02925 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Vapor Pressure | 1.22 [mmHg] |
| SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
| InChIKey | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
Product Description
Applications: 2,2,2-Trifluoroacetophenone is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2,2,2-Trifluoroacetophenone (CAS 434-45-7) is a organic building block with the molecular formula C8H5F3O and a molecular weight of 174.03 g/mol. Synonyms include Trifluoroacetophenone and 2,2,2-TRIFLUOROACETOPHENONE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,2,2-Trifluoroacetophenone
Property Insights of 2,2,2-Trifluoroacetophenone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,2-Trifluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroacetophenone 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
What is the CAS number of 2,2,2-Trifluoroacetophenone?
The CAS number of 2,2,2-Trifluoroacetophenone is 434-45-7.
What is the molecular formula of 2,2,2-Trifluoroacetophenone?
The molecular formula of 2,2,2-Trifluoroacetophenone is C8H5F3O.
What is the molecular weight of 2,2,2-Trifluoroacetophenone?
The molecular weight of 2,2,2-Trifluoroacetophenone is 174.02925 g/mol.
What are the applications of 2,2,2-Trifluoroacetophenone?
2,2,2-Trifluoroacetophenone is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem...
Where can I buy 2,2,2-Trifluoroacetophenone?
You can request a quote for 2,2,2-Trifluoroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-Trifluoroacetophenone?
Yes, CoreyChem provides custom synthesis services for 2,2,2-Trifluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.