1-Fluoro-3,5-dimethyl-benzene
TL;DR: 1-Fluoro-3,5-dimethyl-benzene (CAS 461-97-2) is a chemical compound with molecular formula C8H9F and molecular weight 124.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-3,5-dimethylbenzene
Also Known As: 5-Fluoro-m-xylene, 3,5-dimethylfluorobenzene, 1-Fluoro-3,5-dimethylbenzene, 1-fluoro-3,5-dimethyl-benzene, 5-fluoro-1,3-xylene
| Molecular Formula | C8H9F |
|---|---|
| Molecular Weight | 124.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.068825 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 461-97-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)F)C |
| InChIKey | RCWIWNUVHNAUQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-3,5-dimethyl-benzene (CAS 461-97-2), with molecular formula C8H9F and molecular weight 124.07 g/mol. IUPAC: 1-fluoro-3,5-dimethylbenzene.
Chemical Property Profile of 1-Fluoro-3,5-dimethyl-benzene
Property Insights of 1-Fluoro-3,5-dimethyl-benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-3,5-dimethyl-benzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Fluoro-3,5-dimethyl-benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-3,5-dimethyl-benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Fluoro-3,5-dimethyl-benzene?
The CAS number of 1-Fluoro-3,5-dimethyl-benzene is 461-97-2.
What is the molecular formula of 1-Fluoro-3,5-dimethyl-benzene?
The molecular formula of 1-Fluoro-3,5-dimethyl-benzene is C8H9F.
What is the molecular weight of 1-Fluoro-3,5-dimethyl-benzene?
The molecular weight of 1-Fluoro-3,5-dimethyl-benzene is 124.07 g/mol.
Where can I buy 1-Fluoro-3,5-dimethyl-benzene?
You can request a quote for 1-Fluoro-3,5-dimethyl-benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-3,5-dimethyl-benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-3,5-dimethyl-benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.