3-Fluoroacetophenone
TL;DR: 3-Fluoroacetophenone (CAS 455-36-7) 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.
1-(3-fluorophenyl)ethanone
Also Known As: 3'-Fluoroacetophenone, 1-(3-Fluorophenyl)ethanone, m-Fluoroacetophenone, 3-FLUOROACETOPHENONE, 1-(3-fluorophenyl)ethan-1-one
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7FO |
| Molecular Weight | 138.0481 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0481 Da |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
| SMILES | CC(=O)C1=CC(=CC=C1)F |
| InChIKey | HCEKGPAHZCYRBZ-UHFFFAOYSA-N |
Product Description
Applications: 3-Fluoroacetophenone 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Fluoroacetophenone is a heterocyclic building block identified by CAS number 455-36-7 and the molecular formula C8H7FO and a molecular weight of 138.05 g/mol. Synonyms include 3'-Fluoroacetophenone and 1-(3-Fluorophenyl)ethanone.
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 3-Fluoroacetophenone
Property Insights of 3-Fluoroacetophenone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Fluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoroacetophenone 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 3-Fluoroacetophenone?
The CAS number of 3-Fluoroacetophenone is 455-36-7.
What is the molecular formula of 3-Fluoroacetophenone?
The molecular formula of 3-Fluoroacetophenone is C8H7FO.
What is the molecular weight of 3-Fluoroacetophenone?
The molecular weight of 3-Fluoroacetophenone is 138.0481 g/mol.
What are the applications of 3-Fluoroacetophenone?
3-Fluoroacetophenone 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. Available from CoreyChem as both catalog item and...
Where can I buy 3-Fluoroacetophenone?
You can request a quote for 3-Fluoroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Fluoroacetophenone?
Yes, CoreyChem provides custom synthesis services for 3-Fluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.