4-氟-3-硝基三氟甲苯
TL;DR: 4-氟-3-硝基三氟甲苯 (CAS 367-86-2) is a chemical compound with molecular formula C7H3F4NO2 and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟-3-硝基三氟甲苯
1-fluoro-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 4-Fluoro-3-nitrobenzotrifluoride, 1-Fluoro-2-nitro-4-(trifluoromethyl)benzene, wnr bf exfff, FNBT, 3-nitro-4-fluorobenzotrifluoride
| Molecular Formula | C7H3F4NO2 |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.01 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 367-86-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])F |
| InChIKey | HLDFCCHSOZWKAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟-3-硝基三氟甲苯 (CAS 367-86-2), with molecular formula C7H3F4NO2 and molecular weight 209.01 g/mol. IUPAC: 1-fluoro-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-氟-3-硝基三氟甲苯
Property Insights of 4-氟-3-硝基三氟甲苯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟-3-硝基三氟甲苯. With a topological polar surface area (TPSA) of 45.8 Ų, 4-氟-3-硝基三氟甲苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氟-3-硝基三氟甲苯 has 0 hydrogen bond donor(s) and 6 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 4-氟-3-硝基三氟甲苯?
The CAS number of 4-氟-3-硝基三氟甲苯 is 367-86-2.
What is the molecular formula of 4-氟-3-硝基三氟甲苯?
The molecular formula of 4-氟-3-硝基三氟甲苯 is C7H3F4NO2.
What is the molecular weight of 4-氟-3-硝基三氟甲苯?
The molecular weight of 4-氟-3-硝基三氟甲苯 is 209.01 g/mol.
Where can I buy 4-氟-3-硝基三氟甲苯?
You can request a quote for 4-氟-3-硝基三氟甲苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟-3-硝基三氟甲苯?
Yes, KEHONG BIO provides custom synthesis services for 4-氟-3-硝基三氟甲苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.