2-Butyl-1,3,4-trifluorobenzene
TL;DR: 2-Butyl-1,3,4-trifluorobenzene (CAS 22872-43-1) is a chemical compound with molecular formula C10H11F3 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1,3,4-trifluorobenzene
Also Known As: 2-Butyl-1,3,4-trifluorobenzene, Benzene, 2-butyl-1,3,4-trifluoro-, 2-Butyl-1,3,4-trifluorobenzene #, RefChem:257991
| Molecular Formula | C10H11F3 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.08128 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 22872-43-1 |
|---|---|
| SMILES | CCCCC1=C(C=CC(=C1F)F)F |
| InChIKey | HKLUEHGSILZNNP-UHFFFAOYSA-N |
Product Overview
2-Butyl-1,3,4-trifluorobenzene (CAS 22872-43-1), with molecular formula C10H11F3 and molecular weight 188.08 g/mol. IUPAC: 2-butyl-1,3,4-trifluorobenzene.
Chemical Property Profile of 2-Butyl-1,3,4-trifluorobenzene
Property Insights of 2-Butyl-1,3,4-trifluorobenzene
The XLogP value of 4.1 indicates that 2-Butyl-1,3,4-trifluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Butyl-1,3,4-trifluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-1,3,4-trifluorobenzene has 0 hydrogen bond donor(s) and 3 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 2-Butyl-1,3,4-trifluorobenzene?
The CAS number of 2-Butyl-1,3,4-trifluorobenzene is 22872-43-1.
What is the molecular formula of 2-Butyl-1,3,4-trifluorobenzene?
The molecular formula of 2-Butyl-1,3,4-trifluorobenzene is C10H11F3.
What is the molecular weight of 2-Butyl-1,3,4-trifluorobenzene?
The molecular weight of 2-Butyl-1,3,4-trifluorobenzene is 188.08 g/mol.
Where can I buy 2-Butyl-1,3,4-trifluorobenzene?
You can request a quote for 2-Butyl-1,3,4-trifluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-1,3,4-trifluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-1,3,4-trifluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.