[diethylamino-(difluoroamino)methylidene]-dimethylazanium

C7H16F2N3+ — CID 59294944

IUPAC[diethylamino-(difluoroamino)methylidene]-dimethylazanium
SMILESCCN(CC)C(N(F)F)=[N+](C)C
InChIInChI=1S/C7H16F2N3/c1-5-11(6-2)7(10(3)4)12(8)9/h5-6H2,1-4H3/q+1
InChIKeyNYMMQFUJGFCQAW-UHFFFAOYSA-N
MW180.22 g/mol
LogP1.03
Rot. Bonds2

About [diethylamino-(difluoroamino)methylidene]-dimethylazanium

[diethylamino-(difluoroamino)methylidene]-dimethylazanium (PubChem CID 59294944) has the molecular formula C7H16F2N3+ and a molecular weight of 180.22 g/mol. Its IUPAC name is [diethylamino-(difluoroamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[diethylamino-(difluoroamino)methylidene]-dimethylazanium
PubChem CID59294944
Molecular FormulaC7H16F2N3+
Molecular Weight180.22 g/mol
Exact Mass180.13
IUPAC Name[diethylamino-(difluoroamino)methylidene]-dimethylazanium
SMILESCCN(CC)C(N(F)F)=[N+](C)C
InChIInChI=1S/C7H16F2N3/c1-5-11(6-2)7(10(3)4)12(8)9/h5-6H2,1-4H3/q+1
InChIKeyNYMMQFUJGFCQAW-UHFFFAOYSA-N
XLogP1.03
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 51.03
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-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-(difluoroamino)methylidene]-dimethylazanium?
The IUPAC name of [diethylamino-(difluoroamino)methylidene]-dimethylazanium (CID 59294944) is [diethylamino-(difluoroamino)methylidene]-dimethylazanium.
What is the SMILES notation for [diethylamino-(difluoroamino)methylidene]-dimethylazanium?
The canonical SMILES for [diethylamino-(difluoroamino)methylidene]-dimethylazanium is CCN(CC)C(N(F)F)=[N+](C)C.
What is the InChIKey of [diethylamino-(difluoroamino)methylidene]-dimethylazanium?
The InChIKey is NYMMQFUJGFCQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N3/c1-5-11(6-2)7(10(3)4)12(8)9/h5-6H2,1-4H3/q+1.
What are the key properties of [diethylamino-(difluoroamino)methylidene]-dimethylazanium?
[diethylamino-(difluoroamino)methylidene]-dimethylazanium has a molecular weight of 180.22 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [diethylamino-(difluoroamino)methylidene]-dimethylazanium is sourced from PubChem (CID 59294944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).