TL;DR: (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE (CAS 1022405-50-0) is a chemical compound with molecular formula C21H12F3N3O and molecular weight 379.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-naphthalen-1-yloxy-5-(trifluoromethyl)anilino]methylidene]propanedinitrile
Also Known As: (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[2-naphthalen-1-yloxy-5-(trifluoromethyl)anilino]methylidene]propanedinitrile, 2-[[2-(1-naphthyloxy)-5-(trifluoromethyl)anilino]methylene]propanedinitrile, 2-({[2-(naphthalen-1-yloxy)-5-(trifluoromethyl)phenyl]amino}methylidene)propanedinitrile, 2-[[[2-naphthalen-1-yloxy-5-(trifluoromethyl)phenyl]amino]methylidene]propanedinitrile
| Molecular Formula | C21H12F3N3O |
| Molecular Weight | 379.09326 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.09326 Da |
| Heavy Atoms | 28 |
| Complexity | 653.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC3=C(C=C(C=C3)C(F)(F)F)NC=C(C#N)C#N |
| InChIKey | OIZQFKQFZYOBET-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE 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-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE. Following Lipinski's Rule of Five, (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE is 1022405-50-0.
The molecular formula of (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE is C21H12F3N3O.
The molecular weight of (((2-NAPHTHYLOXY-5-(TRIFLUOROMETHYL)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE is 379.09326 g/mol.
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