(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride

C7H17F2N3 — CID 126970741

IUPAC(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride
SMILESCN1CCN(C)C1=[N+](C)C.[F-].[F-].[H+]
InChIInChI=1S/C7H16N3.2FH/c1-8(2)7-9(3)5-6-10(7)4;;/h5-6H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyOYDRCDCWOFEPQR-UHFFFAOYSA-M
MW181.23 g/mol
LogP-6.39
Rot. Bonds

About (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride

(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride (PubChem CID 126970741) has the molecular formula C7H17F2N3 and a molecular weight of 181.23 g/mol. Its IUPAC name is (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride.

Molecular Properties

Compound Name(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride
PubChem CID126970741
Molecular FormulaC7H17F2N3
Molecular Weight181.23 g/mol
Exact Mass181.14
IUPAC Name(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride
SMILESCN1CCN(C)C1=[N+](C)C.[F-].[F-].[H+]
InChIInChI=1S/C7H16N3.2FH/c1-8(2)7-9(3)5-6-10(7)4;;/h5-6H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyOYDRCDCWOFEPQR-UHFFFAOYSA-M
XLogP-6.39
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-6.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride?
The IUPAC name of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride (CID 126970741) is (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride.
What is the SMILES notation for (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride?
The canonical SMILES for (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride is CN1CCN(C)C1=[N+](C)C.[F-].[F-].[H+].
What is the InChIKey of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride?
The InChIKey is OYDRCDCWOFEPQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N3.2FH/c1-8(2)7-9(3)5-6-10(7)4;;/h5-6H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride?
(1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride has a molecular weight of 181.23 g/mol, XLogP of -6.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazolidin-2-ylidene)-dimethylazanium;hydron;difluoride is sourced from PubChem (CID 126970741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).