2-Fluoro-1-phenylethan-1-one
TL;DR: 2-Fluoro-1-phenylethan-1-one (CAS 450-95-3) is a chemical compound with molecular formula C8H7FO and molecular weight 138.0481 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-1-phenylethanone
Also Known As: 2-Fluoroacetophenone, 2-Fluoro-1-phenylethanone, Phenacyl fluoride, 2-Fluoro-1-phenylethan-1-one, Ethanone, 2-fluoro-1-phenyl-
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7FO |
| Molecular Weight | 138.0481 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.0481 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CF |
| InChIKey | YOMBUJAFGMOIGS-UHFFFAOYSA-N |
Product Description
Applications: 2-Fluoro-1-phenylethan-1-one is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Fluoro-1-phenylethan-1-one (CAS 450-95-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Fluoro-1-phenylethan-1-one is a heterocyclic building block identified by CAS number 450-95-3 and the molecular formula C8H7FO and a molecular weight of 138.05 g/mol. It is also known as 2-Fluoroacetophenone and 2-Fluoro-1-phenylethanone.
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-Fluoro-1-phenylethan-1-one
Property Insights of 2-Fluoro-1-phenylethan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-1-phenylethan-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Fluoro-1-phenylethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-1-phenylethan-1-one 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
What is the CAS number of 2-Fluoro-1-phenylethan-1-one?
The CAS number of 2-Fluoro-1-phenylethan-1-one is 450-95-3.
What is the molecular formula of 2-Fluoro-1-phenylethan-1-one?
The molecular formula of 2-Fluoro-1-phenylethan-1-one is C8H7FO.
What is the molecular weight of 2-Fluoro-1-phenylethan-1-one?
The molecular weight of 2-Fluoro-1-phenylethan-1-one is 138.0481 g/mol.
What are the applications of 2-Fluoro-1-phenylethan-1-one?
2-Fluoro-1-phenylethan-1-one is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 2-Fluoro-1-phenylethan-1-one?
You can request a quote for 2-Fluoro-1-phenylethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-1-phenylethan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-1-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.