1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine

C15H12F2N2O4 — CID 2315455

IUPAC1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O4/c1-22-13-5-2-11(3-6-13)18-9-10-8-12(19(20)21)4-7-14(10)23-15(16)17/h2-9,15H,1H3/b18-9+
InChIKeyAABMGOSNGGPOHV-GIJQJNRQSA-N
MW322.27 g/mol
LogP3.96
Rot. Bonds6

About 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine

1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine (PubChem CID 2315455) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine
PubChem CID2315455
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O4/c1-22-13-5-2-11(3-6-13)18-9-10-8-12(19(20)21)4-7-14(10)23-15(16)17/h2-9,15H,1H3/b18-9+
InChIKeyAABMGOSNGGPOHV-GIJQJNRQSA-N
XLogP3.96
TPSA73.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine (CID 2315455) is 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine?
The InChIKey is AABMGOSNGGPOHV-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c1-22-13-5-2-11(3-6-13)18-9-10-8-12(19(20)21)4-7-14(10)23-15(16)17/h2-9,15H,1H3/b18-9+.
What are the key properties of 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine?
1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine has a molecular weight of 322.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-nitrophenyl]-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 2315455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).