N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide

C15H14FNO3 — CID 46892229

IUPACN-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide
SMILESCOCOc1ccc(/C=[N+](\[O-])c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3/c1-19-11-20-15-8-2-12(3-9-15)10-17(18)14-6-4-13(16)5-7-14/h2-10H,11H2,1H3/b17-10-
InChIKeyXKGDALVDFYQPOK-YVLHZVERSA-N
MW275.28 g/mol
LogP3.07
Rot. Bonds5

About N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide

N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide (PubChem CID 46892229) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide
PubChem CID46892229
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC NameN-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide
SMILESCOCOc1ccc(/C=[N+](\[O-])c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3/c1-19-11-20-15-8-2-12(3-9-15)10-17(18)14-6-4-13(16)5-7-14/h2-10H,11H2,1H3/b17-10-
InChIKeyXKGDALVDFYQPOK-YVLHZVERSA-N
XLogP3.07
TPSA44.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide?
The IUPAC name of N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide (CID 46892229) is N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide?
The canonical SMILES for N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide is COCOc1ccc(/C=[N+](\[O-])c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide?
The InChIKey is XKGDALVDFYQPOK-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-11-20-15-8-2-12(3-9-15)10-17(18)14-6-4-13(16)5-7-14/h2-10H,11H2,1H3/b17-10-.
What are the key properties of N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide?
N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide has a molecular weight of 275.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[4-(methoxymethoxy)phenyl]methanimine oxide is sourced from PubChem (CID 46892229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).