4-Fluorobenzylisocyanide
TL;DR: 4-Fluorobenzylisocyanide (CAS 148890-53-3) is a chemical compound with molecular formula C8H6FN and molecular weight 135.04843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-4-(isocyanomethyl)benzene
Also Known As: 4-Fluorobenzylisocyanide, 1-fluoro-4-(isocyanomethyl)benzene, 4-fluorobenzyl isocyanide, 4-Fluorbenzylisocyanide, TOS-BB-0800
Technical Specifications
| Molecular Formula | C8H6FN |
| Molecular Weight | 135.04843 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.04843 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | [C-]#[N+]CC1=CC=C(C=C1)F |
| InChIKey | DLDWOKWGDHSJOK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluorobenzylisocyanide
Property Insights of 4-Fluorobenzylisocyanide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorobenzylisocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 4-Fluorobenzylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorobenzylisocyanide 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 4-Fluorobenzylisocyanide?
The CAS number of 4-Fluorobenzylisocyanide is 148890-53-3.
What is the molecular formula of 4-Fluorobenzylisocyanide?
The molecular formula of 4-Fluorobenzylisocyanide is C8H6FN.
What is the molecular weight of 4-Fluorobenzylisocyanide?
The molecular weight of 4-Fluorobenzylisocyanide is 135.04843 g/mol.
Where can I buy 4-Fluorobenzylisocyanide?
You can request a quote for 4-Fluorobenzylisocyanide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluorobenzylisocyanide?
Yes, CoreyChem provides custom synthesis services for 4-Fluorobenzylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.