(NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine

C11H13FN2O2 — CID 11009598

IUPAC(NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine
SMILESO/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/b13-8+
InChIKeyORDHQRCTHPMXAU-MDWZMJQESA-N
MW224.24 g/mol
LogP1.47
Rot. Bonds2

About (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine

(NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine (PubChem CID 11009598) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine
PubChem CID11009598
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine
SMILESO/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/b13-8+
InChIKeyORDHQRCTHPMXAU-MDWZMJQESA-N
XLogP1.47
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine (CID 11009598) is (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine is O/N=C/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine?
The InChIKey is ORDHQRCTHPMXAU-MDWZMJQESA-N. 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/b13-8+.
What are the key properties of (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine?
(NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine has a molecular weight of 224.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 11009598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).