3'-Trifluoromethylbiphenyl-4-carbaldehyde
TL;DR: 3'-Trifluoromethylbiphenyl-4-carbaldehyde (CAS 100036-64-4) is a chemical compound with molecular formula C14H9F3O and molecular weight 250.06055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(trifluoromethyl)phenyl]benzaldehyde
Also Known As: 3'-trifluoromethylbiphenyl-4-carbaldehyde, 4-[3-(trifluoromethyl)phenyl]benzaldehyde, 3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde, 3'-Trifluoromethyl-biphenyl-4-carbaldehyde, AKOS BAR-0093
Technical Specifications
| Molecular Formula | C14H9F3O |
| Molecular Weight | 250.06055 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.06055 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C=O |
| InChIKey | WRWNNARTYPYHEC-UHFFFAOYSA-N |
Chemical Property Profile of 3'-Trifluoromethylbiphenyl-4-carbaldehyde
Property Insights of 3'-Trifluoromethylbiphenyl-4-carbaldehyde
The XLogP value of 3.9 indicates that 3'-Trifluoromethylbiphenyl-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3'-Trifluoromethylbiphenyl-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Trifluoromethylbiphenyl-4-carbaldehyde 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
What is the CAS number of 3'-Trifluoromethylbiphenyl-4-carbaldehyde?
The CAS number of 3'-Trifluoromethylbiphenyl-4-carbaldehyde is 100036-64-4.
What is the molecular formula of 3'-Trifluoromethylbiphenyl-4-carbaldehyde?
The molecular formula of 3'-Trifluoromethylbiphenyl-4-carbaldehyde is C14H9F3O.
What is the molecular weight of 3'-Trifluoromethylbiphenyl-4-carbaldehyde?
The molecular weight of 3'-Trifluoromethylbiphenyl-4-carbaldehyde is 250.06055 g/mol.
Where can I buy 3'-Trifluoromethylbiphenyl-4-carbaldehyde?
You can request a quote for 3'-Trifluoromethylbiphenyl-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Trifluoromethylbiphenyl-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 3'-Trifluoromethylbiphenyl-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.