3,4,5-Trifluorobenzotrifluoride
TL;DR: 3,4,5-Trifluorobenzotrifluoride (CAS 80172-04-9) is a chemical compound with molecular formula C7H2F6 and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trifluoro-5-(trifluoromethyl)benzene
Also Known As: 3,4,5-Trifluorobenzotrifluoride, 1,2,3-trifluoro-5-(trifluoromethyl)benzene, 3,4,.5-trifluorobenzotrifluoride, 3,4,5-trifluoro-benzotrifluoride, 3, 4, 5-trifluorobenzotrifluoride
| Molecular Formula | C7H2F6 |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 3.1227 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.00607 |
| Heavy Atoms | 13 |
| Complexity | 303.24002 |
Chemical Identifiers
| CAS Number | 80172-04-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)F)F)C(F)(F)F |
Product Overview
3,4,5-Trifluorobenzotrifluoride (CAS 80172-04-9), with molecular formula C7H2F6 and molecular weight 200.01 g/mol. IUPAC: 1,2,3-trifluoro-5-(trifluoromethyl)benzene.
Chemical Property Profile of 3,4,5-Trifluorobenzotrifluoride
Property Insights of 3,4,5-Trifluorobenzotrifluoride
The XLogP value of 3.1227 indicates that 3,4,5-Trifluorobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4,5-Trifluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-Trifluorobenzotrifluoride has 0 hydrogen bond donor(s) and 0 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 3,4,5-Trifluorobenzotrifluoride?
The CAS number of 3,4,5-Trifluorobenzotrifluoride is 80172-04-9.
What is the molecular formula of 3,4,5-Trifluorobenzotrifluoride?
The molecular formula of 3,4,5-Trifluorobenzotrifluoride is C7H2F6.
What is the molecular weight of 3,4,5-Trifluorobenzotrifluoride?
The molecular weight of 3,4,5-Trifluorobenzotrifluoride is 200.01 g/mol.
Where can I buy 3,4,5-Trifluorobenzotrifluoride?
You can request a quote for 3,4,5-Trifluorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trifluorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trifluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.