About (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine (PubChem CID 6905559) has the molecular formula C18H12F8N2O4
and a molecular weight of 472.29 g/mol. Its IUPAC name is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine.
Molecular Properties
| Compound Name | (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine |
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| PubChem CID | 6905559 |
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| Molecular Formula | C18H12F8N2O4 |
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| Molecular Weight | 472.29 g/mol |
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| Exact Mass | 472.07 |
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| IUPAC Name | (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine |
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| SMILES | FC(F)Oc1ccc(/C=N/N=C/c2ccc(OC(F)F)cc2OC(F)F)c(OC(F)F)c1 |
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| InChI | InChI=1S/C18H12F8N2O4/c19-15(20)29-11-3-1-9(13(5-11)31-17(23)24)7-27-28-8-10-2-4-12(30-16(21)22)6-14(10)32-18(25)26/h1-8,15-18H/b27-7+,28-8+ |
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| InChIKey | OUUOOCZQPMGLAY-XWTMXADLSA-N |
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| XLogP | 5.55 |
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| TPSA | 61.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 472.29 |
| LogP ≤ 5 | 5.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine (CID 6905559) is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine is FC(F)Oc1ccc(/C=N/N=C/c2ccc(OC(F)F)cc2OC(F)F)c(OC(F)F)c1.
What is the InChIKey of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
The InChIKey is OUUOOCZQPMGLAY-XWTMXADLSA-N. The full InChI is InChI=1S/C18H12F8N2O4/c19-15(20)29-11-3-1-9(13(5-11)31-17(23)24)7-27-28-8-10-2-4-12(30-16(21)22)6-14(10)32-18(25)26/h1-8,15-18H/b27-7+,28-8+.
What are the key properties of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine?
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine has a molecular weight of 472.29 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 6905559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).