3-(Trifluoromethyl)benzaldehyde
TL;DR: 3-(Trifluoromethyl)benzaldehyde (CAS 454-89-7) is a chemical compound with molecular formula C8H5F3O and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trifluoromethyl)benzaldehyde
Also Known As: 3-(Trifluoromethyl)benzaldehyde, 3-Trifluoromethylbenzaldehyde, vhr cxfff, m-Trifluoromethylbenzaldehyde, Benzaldehyde, 3-(trifluoromethyl)-
| Molecular Formula | C8H5F3O |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02925 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 454-89-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=O |
| InChIKey | NMTUHPSKJJYGML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Trifluoromethyl)benzaldehyde (CAS 454-89-7), with molecular formula C8H5F3O and molecular weight 174.03 g/mol. IUPAC: 3-(trifluoromethyl)benzaldehyde.
Chemical Property Profile of 3-(Trifluoromethyl)benzaldehyde
Property Insights of 3-(Trifluoromethyl)benzaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Trifluoromethyl)benzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(Trifluoromethyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Trifluoromethyl)benzaldehyde has 0 hydrogen bond donor(s) and 4 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-(Trifluoromethyl)benzaldehyde?
The CAS number of 3-(Trifluoromethyl)benzaldehyde is 454-89-7.
What is the molecular formula of 3-(Trifluoromethyl)benzaldehyde?
The molecular formula of 3-(Trifluoromethyl)benzaldehyde is C8H5F3O.
What is the molecular weight of 3-(Trifluoromethyl)benzaldehyde?
The molecular weight of 3-(Trifluoromethyl)benzaldehyde is 174.03 g/mol.
Where can I buy 3-(Trifluoromethyl)benzaldehyde?
You can request a quote for 3-(Trifluoromethyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Trifluoromethyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(Trifluoromethyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.