[diethylamino(fluoro)methylidene]-diethylazanium

C9H20FN2+ — CID 11500706

IUPAC[diethylamino(fluoro)methylidene]-diethylazanium
SMILESCCN(CC)C(F)=[N+](CC)CC
InChIInChI=1S/C9H20FN2/c1-5-11(6-2)9(10)12(7-3)8-4/h5-8H2,1-4H3/q+1
InChIKeyQQHZWVJWOBWTPI-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.71
Rot. Bonds4

About [diethylamino(fluoro)methylidene]-diethylazanium

[diethylamino(fluoro)methylidene]-diethylazanium (PubChem CID 11500706) has the molecular formula C9H20FN2+ and a molecular weight of 175.27 g/mol. Its IUPAC name is [diethylamino(fluoro)methylidene]-diethylazanium.

Molecular Properties

Compound Name[diethylamino(fluoro)methylidene]-diethylazanium
PubChem CID11500706
Molecular FormulaC9H20FN2+
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name[diethylamino(fluoro)methylidene]-diethylazanium
SMILESCCN(CC)C(F)=[N+](CC)CC
InChIInChI=1S/C9H20FN2/c1-5-11(6-2)9(10)12(7-3)8-4/h5-8H2,1-4H3/q+1
InChIKeyQQHZWVJWOBWTPI-UHFFFAOYSA-N
XLogP1.71
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [diethylamino(fluoro)methylidene]-diethylazanium?
The IUPAC name of [diethylamino(fluoro)methylidene]-diethylazanium (CID 11500706) is [diethylamino(fluoro)methylidene]-diethylazanium.
What is the SMILES notation for [diethylamino(fluoro)methylidene]-diethylazanium?
The canonical SMILES for [diethylamino(fluoro)methylidene]-diethylazanium is CCN(CC)C(F)=[N+](CC)CC.
What is the InChIKey of [diethylamino(fluoro)methylidene]-diethylazanium?
The InChIKey is QQHZWVJWOBWTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN2/c1-5-11(6-2)9(10)12(7-3)8-4/h5-8H2,1-4H3/q+1.
What are the key properties of [diethylamino(fluoro)methylidene]-diethylazanium?
[diethylamino(fluoro)methylidene]-diethylazanium has a molecular weight of 175.27 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino(fluoro)methylidene]-diethylazanium is sourced from PubChem (CID 11500706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).