alpha,alpha,alpha,3-Tetrafluorotoluene
TL;DR: alpha,alpha,alpha,3-Tetrafluorotoluene (CAS 401-80-9) is a chemical compound with molecular formula C7H4F4 and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-3-(trifluoromethyl)benzene
Also Known As: 3-Fluorobenzotrifluoride, m-Fluorobenzotrifluoride, 1-Fluoro-3-(trifluoromethyl)benzene, alpha,alpha,alpha,3-Tetrafluorotoluene, Benzene, 1-fluoro-3-(trifluoromethyl)-
| Molecular Formula | C7H4F4 |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.02492 |
| Heavy Atoms | 11 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 401-80-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(F)(F)F |
| InChIKey | GBOWGKOVMBDPJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha,alpha,alpha,3-Tetrafluorotoluene (CAS 401-80-9), with molecular formula C7H4F4 and molecular weight 164.02 g/mol. IUPAC: 1-fluoro-3-(trifluoromethyl)benzene.
Chemical Property Profile of alpha,alpha,alpha,3-Tetrafluorotoluene
Property Insights of alpha,alpha,alpha,3-Tetrafluorotoluene
The XLogP value of 3.4 indicates that alpha,alpha,alpha,3-Tetrafluorotoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha,alpha,alpha,3-Tetrafluorotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,alpha,3-Tetrafluorotoluene has 0 hydrogen bond donor(s) and 4 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 alpha,alpha,alpha,3-Tetrafluorotoluene?
The CAS number of alpha,alpha,alpha,3-Tetrafluorotoluene is 401-80-9.
What is the molecular formula of alpha,alpha,alpha,3-Tetrafluorotoluene?
The molecular formula of alpha,alpha,alpha,3-Tetrafluorotoluene is C7H4F4.
What is the molecular weight of alpha,alpha,alpha,3-Tetrafluorotoluene?
The molecular weight of alpha,alpha,alpha,3-Tetrafluorotoluene is 164.02 g/mol.
Where can I buy alpha,alpha,alpha,3-Tetrafluorotoluene?
You can request a quote for alpha,alpha,alpha,3-Tetrafluorotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,alpha,3-Tetrafluorotoluene?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,alpha,3-Tetrafluorotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.