4-Ethylbenzotrifluoride
TL;DR: 4-Ethylbenzotrifluoride (CAS 543713-09-3) is a chemical compound with molecular formula C9H9F3 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-(trifluoromethyl)benzene
Also Known As: 4-Ethylbenzotrifluoride, 1-ethyl-4-(trifluoromethyl)benzene, 1-(Trifluoromethyl)-4-ethylbenzene, Benzene, 1-ethyl-4-(trifluoromethyl)-, 5-N-(Boc)-aminomethyl-3-isopropylisoxazole
| Molecular Formula | C9H9F3 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 3.2678 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.06563 |
| Heavy Atoms | 12 |
| Complexity | 245.47131 |
Chemical Identifiers
| CAS Number | 543713-09-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(F)(F)F |
Product Overview
4-Ethylbenzotrifluoride (CAS 543713-09-3), with molecular formula C9H9F3 and molecular weight 174.07 g/mol. IUPAC: 1-ethyl-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Ethylbenzotrifluoride
Property Insights of 4-Ethylbenzotrifluoride
The XLogP value of 3.2678 indicates that 4-Ethylbenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Ethylbenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzotrifluoride 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 4-Ethylbenzotrifluoride?
The CAS number of 4-Ethylbenzotrifluoride is 543713-09-3.
What is the molecular formula of 4-Ethylbenzotrifluoride?
The molecular formula of 4-Ethylbenzotrifluoride is C9H9F3.
What is the molecular weight of 4-Ethylbenzotrifluoride?
The molecular weight of 4-Ethylbenzotrifluoride is 174.07 g/mol.
Where can I buy 4-Ethylbenzotrifluoride?
You can request a quote for 4-Ethylbenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethylbenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethylbenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.