![2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile structure](/static/products/1024/1024516-01-5.webp)
2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
TL;DR: 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile (CAS 1024516-01-5) is a chemical compound with molecular formula C12H8F3N3O and molecular weight 267.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: 2-[methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile, (METHOXY((3-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[methoxy-[3-(trifluoromethyl)anilino]methylene]propanedinitrile, 2-[methoxy-[[3-(trifluoromethyl)phenyl]amino]methylidene]propanedinitrile, Propanedinitrile, 2-[methoxy[[3-(trifluoromethyl)phenyl]amino]methylene]-
Technical Specifications
| Molecular Formula | C12H8F3N3O |
| Molecular Weight | 267.06195 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.06195 Da |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
| SMILES | COC(=C(C#N)C#N)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | WYYIWLMOBWZMFA-UHFFFAOYSA-N |
Chemical Property Profile of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
Property Insights of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile
The XLogP value of 3.3 indicates that 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
The CAS number of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is 1024516-01-5.
What is the molecular formula of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
The molecular formula of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is C12H8F3N3O.
What is the molecular weight of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
The molecular weight of 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile is 267.06195 g/mol.
Where can I buy 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
You can request a quote for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[Methoxy-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.