(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine

C11H12FN2O2- — CID 7345113

IUPAC(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine
SMILES[O-]/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H13FN2O2/c12-10-7-9(8-13-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7-8,15H,3-6H2/p-1/b13-8+
InChIKeyORDHQRCTHPMXAU-MDWZMJQESA-M
MW223.23 g/mol
LogP1.58
Rot. Bonds2

About (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine

(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine (PubChem CID 7345113) has the molecular formula C11H12FN2O2- and a molecular weight of 223.23 g/mol. Its IUPAC name is (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine.

Molecular Properties

Compound Name(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine
PubChem CID7345113
Molecular FormulaC11H12FN2O2-
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine
SMILES[O-]/N=C/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C11H13FN2O2/c12-10-7-9(8-13-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7-8,15H,3-6H2/p-1/b13-8+
InChIKeyORDHQRCTHPMXAU-MDWZMJQESA-M
XLogP1.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine?
The IUPAC name of (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine (CID 7345113) is (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine.
What is the SMILES notation for (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine?
The canonical SMILES for (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine is [O-]/N=C/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine?
The InChIKey is ORDHQRCTHPMXAU-MDWZMJQESA-M. The full InChI is InChI=1S/C11H13FN2O2/c12-10-7-9(8-13-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7-8,15H,3-6H2/p-1/b13-8+.
What are the key properties of (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine?
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine has a molecular weight of 223.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-N-oxidomethanimine is sourced from PubChem (CID 7345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).