[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium

C10H10FN4O2+ — CID 137439146

IUPAC[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium
SMILESN=[N+]=Nc1ccc(N2CCOCC2=O)c(F)c1
InChIInChI=1S/C10H10FN4O2/c11-8-5-7(13-14-12)1-2-9(8)15-3-4-17-6-10(15)16/h1-2,5,12H,3-4,6H2/q+1
InChIKeyHSJUVDCEIXBZJC-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.37
Rot. Bonds2

About [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium

[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium (PubChem CID 137439146) has the molecular formula C10H10FN4O2+ and a molecular weight of 237.21 g/mol. Its IUPAC name is [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium.

Molecular Properties

Compound Name[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium
PubChem CID137439146
Molecular FormulaC10H10FN4O2+
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium
SMILESN=[N+]=Nc1ccc(N2CCOCC2=O)c(F)c1
InChIInChI=1S/C10H10FN4O2/c11-8-5-7(13-14-12)1-2-9(8)15-3-4-17-6-10(15)16/h1-2,5,12H,3-4,6H2/q+1
InChIKeyHSJUVDCEIXBZJC-UHFFFAOYSA-N
XLogP1.37
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium?
The IUPAC name of [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium (CID 137439146) is [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium.
What is the SMILES notation for [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium?
The canonical SMILES for [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium is N=[N+]=Nc1ccc(N2CCOCC2=O)c(F)c1.
What is the InChIKey of [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium?
The InChIKey is HSJUVDCEIXBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN4O2/c11-8-5-7(13-14-12)1-2-9(8)15-3-4-17-6-10(15)16/h1-2,5,12H,3-4,6H2/q+1.
What are the key properties of [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium?
[3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium has a molecular weight of 237.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-oxomorpholin-4-yl)phenyl]imino-iminoazanium is sourced from PubChem (CID 137439146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).