4-(2,2,2-Trifluoroethoxy)benzaldehyde
TL;DR: 4-(2,2,2-Trifluoroethoxy)benzaldehyde (CAS 76579-46-9) is a chemical compound with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,2-trifluoroethoxy)benzaldehyde
Also Known As: 4-(2,2,2-trifluoroethoxy)benzaldehyde, 4-trifluoroethoxybenzaldehyde, 4-(2,2,2-trifluoroethoxy)-benzaldehyde, p-(2,2,2-trifluoroethoxy)benzaldehyde, 4-(2,2,2-trifluoroethoxyl)benzaldehyde
| Molecular Formula | C9H7F3O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.4402 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.03981 |
| Heavy Atoms | 14 |
| Complexity | 302.82825 |
Chemical Identifiers
| CAS Number | 76579-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)OCC(F)(F)F |
Product Overview
4-(2,2,2-Trifluoroethoxy)benzaldehyde (CAS 76579-46-9), with molecular formula C9H7F3O2 and molecular weight 204.04 g/mol. IUPAC: 4-(2,2,2-trifluoroethoxy)benzaldehyde.
Chemical Property Profile of 4-(2,2,2-Trifluoroethoxy)benzaldehyde
Property Insights of 4-(2,2,2-Trifluoroethoxy)benzaldehyde
The XLogP value of 2.4402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,2,2-Trifluoroethoxy)benzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 4-(2,2,2-Trifluoroethoxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2,2-Trifluoroethoxy)benzaldehyde has 0 hydrogen bond donor(s) and 2 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-(2,2,2-Trifluoroethoxy)benzaldehyde?
The CAS number of 4-(2,2,2-Trifluoroethoxy)benzaldehyde is 76579-46-9.
What is the molecular formula of 4-(2,2,2-Trifluoroethoxy)benzaldehyde?
The molecular formula of 4-(2,2,2-Trifluoroethoxy)benzaldehyde is C9H7F3O2.
What is the molecular weight of 4-(2,2,2-Trifluoroethoxy)benzaldehyde?
The molecular weight of 4-(2,2,2-Trifluoroethoxy)benzaldehyde is 204.04 g/mol.
Where can I buy 4-(2,2,2-Trifluoroethoxy)benzaldehyde?
You can request a quote for 4-(2,2,2-Trifluoroethoxy)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2,2-Trifluoroethoxy)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2,2-Trifluoroethoxy)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.