[diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate

C9H20F7N2P — CID 11500705

IUPAC[diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate
SMILESCCN(CC)C(F)=[N+](CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H20FN2.F6P/c1-5-11(6-2)9(10)12(7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
InChIKeyQCJQIYGUYZLOQW-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.09
Rot. Bonds4

About [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate

[diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate (PubChem CID 11500705) has the molecular formula C9H20F7N2P and a molecular weight of 320.23 g/mol. Its IUPAC name is [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate
PubChem CID11500705
Molecular FormulaC9H20F7N2P
Molecular Weight320.23 g/mol
Exact Mass320.13
IUPAC Name[diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate
SMILESCCN(CC)C(F)=[N+](CC)CC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C9H20FN2.F6P/c1-5-11(6-2)9(10)12(7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
InChIKeyQCJQIYGUYZLOQW-UHFFFAOYSA-N
XLogP5.09
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.09
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': 'phosphor', '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 hexafluorophosphate?
The IUPAC name of [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate (CID 11500705) is [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate.
What is the SMILES notation for [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate?
The canonical SMILES for [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate is CCN(CC)C(F)=[N+](CC)CC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate?
The InChIKey is QCJQIYGUYZLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN2.F6P/c1-5-11(6-2)9(10)12(7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of [diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate?
[diethylamino(fluoro)methylidene]-diethylazanium hexafluorophosphate has a molecular weight of 320.23 g/mol, XLogP of 5.09, 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 hexafluorophosphate is sourced from PubChem (CID 11500705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).