RefChem:351877
TL;DR: RefChem:351877 (CAS 101756-33-6) is a chemical compound with molecular formula C13H7F6N3O and molecular weight 335.04932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-2-pyridinyl]methylidene]propanedinitrile
Also Known As: Malononitrile, (6-(2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-2-pyridylmethylene)-, (6-((2-Hydroxy-3,3,3-trifluoro-2-trifluoromethyl)propyl)pyridine-2-methylene)malononitrile, (6-(2-Hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-2-pyridylmethylene)malononitrile, ({6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-2-yl}methylidene)propanedinitrile, 6-(2-Hydroxy-3,3,3-trifluoro-2-trifluoromethylpropyl)-2-pyridinylmethylenemalononitrile
Technical Specifications
| Molecular Formula | C13H7F6N3O |
| Molecular Weight | 335.04932 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.04932 Da |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
| SMILES | C1=CC(=NC(=C1)C=C(C#N)C#N)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | MWFVYTZLXQENKM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:351877
Property Insights of RefChem:351877
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:351877. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351877. Following Lipinski's Rule of Five, RefChem:351877 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:351877?
The CAS number of RefChem:351877 is 101756-33-6.
What is the molecular formula of RefChem:351877?
The molecular formula of RefChem:351877 is C13H7F6N3O.
What is the molecular weight of RefChem:351877?
The molecular weight of RefChem:351877 is 335.04932 g/mol.
Where can I buy RefChem:351877?
You can request a quote for RefChem:351877 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:351877?
Yes, CoreyChem provides custom synthesis services for RefChem:351877 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.