3-Fluorobenzotrichloride
TL;DR: 3-Fluorobenzotrichloride (CAS 401-77-4) is a chemical compound with molecular formula C7H4Cl3F and molecular weight 211.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-3-(trichloromethyl)benzene
Also Known As: 3-Fluorobenzotrichloride, 1-fluoro-3-(trichloromethyl)benzene, 3-Fluorobenzotrifluoride, 5-fluorobenzotrichloride, 3-Fluoro benzotrichloride
| Molecular Formula | C7H4Cl3F |
|---|---|
| Molecular Weight | 211.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.93626 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 401-77-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(Cl)(Cl)Cl |
| InChIKey | JRTYPYSADXRJBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluorobenzotrichloride (CAS 401-77-4), with molecular formula C7H4Cl3F and molecular weight 211.94 g/mol. IUPAC: 1-fluoro-3-(trichloromethyl)benzene.
Chemical Property Profile of 3-Fluorobenzotrichloride
Property Insights of 3-Fluorobenzotrichloride
The XLogP value of 4.0 indicates that 3-Fluorobenzotrichloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Fluorobenzotrichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzotrichloride 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 3-Fluorobenzotrichloride?
The CAS number of 3-Fluorobenzotrichloride is 401-77-4.
What is the molecular formula of 3-Fluorobenzotrichloride?
The molecular formula of 3-Fluorobenzotrichloride is C7H4Cl3F.
What is the molecular weight of 3-Fluorobenzotrichloride?
The molecular weight of 3-Fluorobenzotrichloride is 211.94 g/mol.
Where can I buy 3-Fluorobenzotrichloride?
You can request a quote for 3-Fluorobenzotrichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorobenzotrichloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzotrichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.