(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine

C12H15FN2O2 — CID 87216283

IUPAC(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(N2CCOCC2)cc1F
InChIInChI=1S/C12H15FN2O2/c1-9(14-16)11-3-2-10(8-12(11)13)15-4-6-17-7-5-15/h2-3,8,16H,4-7H2,1H3/b14-9+
InChIKeyLKKXYAGMIJVDHQ-NTEUORMPSA-N
MW238.26 g/mol
LogP1.86
Rot. Bonds2

About (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine (PubChem CID 87216283) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine
PubChem CID87216283
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(N2CCOCC2)cc1F
InChIInChI=1S/C12H15FN2O2/c1-9(14-16)11-3-2-10(8-12(11)13)15-4-6-17-7-5-15/h2-3,8,16H,4-7H2,1H3/b14-9+
InChIKeyLKKXYAGMIJVDHQ-NTEUORMPSA-N
XLogP1.86
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.86
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-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine (CID 87216283) is (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(N2CCOCC2)cc1F.
What is the InChIKey of (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
The InChIKey is LKKXYAGMIJVDHQ-NTEUORMPSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-9(14-16)11-3-2-10(8-12(11)13)15-4-6-17-7-5-15/h2-3,8,16H,4-7H2,1H3/b14-9+.
What are the key properties of (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine has a molecular weight of 238.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-fluoro-4-morpholin-4-ylphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 87216283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).