Butyronitrile, 4-fluoro-
TL;DR: Butyronitrile, 4-fluoro- (CAS 407-83-0) is a chemical compound with molecular formula C4H6FN and molecular weight 87.04842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluorobutanenitrile
Also Known As: 4-fluorobutanenitrile, 4-Fluorobutyronitrile, gamma-Fluorobutyronitrile, BUTYRONITRILE, 4-FLUORO-, 4-fluoro-butyronitrile
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6FN |
| Molecular Weight | 87.04842 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 87.04842 Da |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
| SMILES | C(CC#N)CF |
| InChIKey | FJJJJRAPZCRYGA-UHFFFAOYSA-N |
Product Description
Applications: Butyronitrile, 4-fluoro- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
Butyronitrile, 4-fluoro- (CAS 407-83-0) is a heterocyclic building block with the molecular formula C4H6FN and a molecular weight of 87.05 g/mol. Synonyms include 4-fluorobutanenitrile and 4-Fluorobutyronitrile.
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 Butyronitrile, 4-fluoro-
Property Insights of Butyronitrile, 4-fluoro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 4-fluoro-. With a topological polar surface area (TPSA) of 23.8 Ų, Butyronitrile, 4-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4-fluoro- 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 Butyronitrile, 4-fluoro-?
The CAS number of Butyronitrile, 4-fluoro- is 407-83-0.
What is the molecular formula of Butyronitrile, 4-fluoro-?
The molecular formula of Butyronitrile, 4-fluoro- is C4H6FN.
What is the molecular weight of Butyronitrile, 4-fluoro-?
The molecular weight of Butyronitrile, 4-fluoro- is 87.04842 g/mol.
What are the applications of Butyronitrile, 4-fluoro-?
Butyronitrile, 4-fluoro- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
Where can I buy Butyronitrile, 4-fluoro-?
You can request a quote for Butyronitrile, 4-fluoro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile, 4-fluoro-?
Yes, CoreyChem provides custom synthesis services for Butyronitrile, 4-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.