4-Fluoro-1-isocyano-2-methylbenzene
TL;DR: 4-Fluoro-1-isocyano-2-methylbenzene (CAS 153797-68-3) 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.
4-fluoro-1-isocyano-2-methylbenzene
Also Known As: 4-fluoro-1-isocyano-2-methylbenzene, 4-Fluoro-2-methylphenylisocyanide, 4-fluoro-o-tolyl isocyanide, Benzene, 4-fluoro-1-isocyano-2-methyl- (9CI), 4-fluoro-1-isocyano-2-methyl-benzene
Technical Specifications
| Molecular Formula | C8H6FN |
| Molecular Weight | 135.04843 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04843 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | CC1=C(C=CC(=C1)F)[N+]#[C-] |
| InChIKey | YPNBKNIHVMGHKS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluoro-1-isocyano-2-methylbenzene
Property Insights of 4-Fluoro-1-isocyano-2-methylbenzene
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-1-isocyano-2-methylbenzene. With a topological polar surface area (TPSA) of 4.4 Ų, 4-Fluoro-1-isocyano-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-1-isocyano-2-methylbenzene 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-Fluoro-1-isocyano-2-methylbenzene?
The CAS number of 4-Fluoro-1-isocyano-2-methylbenzene is 153797-68-3.
What is the molecular formula of 4-Fluoro-1-isocyano-2-methylbenzene?
The molecular formula of 4-Fluoro-1-isocyano-2-methylbenzene is C8H6FN.
What is the molecular weight of 4-Fluoro-1-isocyano-2-methylbenzene?
The molecular weight of 4-Fluoro-1-isocyano-2-methylbenzene is 135.04843 g/mol.
Where can I buy 4-Fluoro-1-isocyano-2-methylbenzene?
You can request a quote for 4-Fluoro-1-isocyano-2-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoro-1-isocyano-2-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 4-Fluoro-1-isocyano-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.