[[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

C9H20F2N3+ — CID 59294947

IUPAC[[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(CCF)CCF)=[N+](C)C
InChIInChI=1S/C9H20F2N3/c1-12(2)9(13(3)4)14(7-5-10)8-6-11/h5-8H2,1-4H3/q+1
InChIKeyHXIOBJYPNVLWFN-UHFFFAOYSA-N
MW208.28 g/mol
LogP0.42
Rot. Bonds4

About [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium

[[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (PubChem CID 59294947) has the molecular formula C9H20F2N3+ and a molecular weight of 208.28 g/mol. Its IUPAC name is [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.

Molecular Properties

Compound Name[[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
PubChem CID59294947
Molecular FormulaC9H20F2N3+
Molecular Weight208.28 g/mol
Exact Mass208.16
IUPAC Name[[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
SMILESCN(C)C(N(CCF)CCF)=[N+](C)C
InChIInChI=1S/C9H20F2N3/c1-12(2)9(13(3)4)14(7-5-10)8-6-11/h5-8H2,1-4H3/q+1
InChIKeyHXIOBJYPNVLWFN-UHFFFAOYSA-N
XLogP0.42
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.42
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
CID 9795249
Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
Hexaethylguanidinium bromide
CID 5744058
[Diethylamino(fluoro)methylidene]-diethylazanium
CID 11500706
triethyl-(N,N,N'-triethylcarbamimidoyl)azanium chloride
CID 17906762
Bis(diethylamino)methylidene-diethylazanium
CID 5744059
Bis(diethylamino)-N,N-diethylmethaniminium iodide
CID 13127976
[Diethylamino-(difluoroamino)methylidene]-dimethylazanium
CID 59294944
[[Bis(2-fluoroethyl)amino]-[bis(fluoromethyl)amino]methylidene]-dimethylazanium
CID 59294950
[Bis(2-fluoroethyl)azaniumylidene-(difluoroamino)methyl]-trimethylazanium
CID 87548454
[[Bis(1-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium
CID 87548544
1-(1-Fluorobutyl)-1,2,3,3-tetramethylguanidine
CID 87896230

Frequently Asked Questions

What is the IUPAC name of [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The IUPAC name of [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium (CID 59294947) is [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium.
What is the SMILES notation for [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The canonical SMILES for [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is CN(C)C(N(CCF)CCF)=[N+](C)C.
What is the InChIKey of [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
The InChIKey is HXIOBJYPNVLWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N3/c1-12(2)9(13(3)4)14(7-5-10)8-6-11/h5-8H2,1-4H3/q+1.
What are the key properties of [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium?
[[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium has a molecular weight of 208.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis(2-fluoroethyl)amino]-(dimethylamino)methylidene]-dimethylazanium is sourced from PubChem (CID 59294947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).