diethyl(dioctyl)azanium fluoride

C20H44FN — CID 19602103

IUPACdiethyl(dioctyl)azanium fluoride
SMILESCCCCCCCC[N+](CC)(CC)CCCCCCCC.[F-]
InChIInChI=1S/C20H44N.FH/c1-5-9-11-13-15-17-19-21(7-3,8-4)20-18-16-14-12-10-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKeyDBKKQCKAFCFRPJ-UHFFFAOYSA-M
MW317.58 g/mol
LogP3.57
Rot. Bonds16

About diethyl(dioctyl)azanium fluoride

diethyl(dioctyl)azanium fluoride (PubChem CID 19602103) has the molecular formula C20H44FN and a molecular weight of 317.58 g/mol. Its IUPAC name is diethyl(dioctyl)azanium fluoride.

Molecular Properties

Compound Namediethyl(dioctyl)azanium fluoride
PubChem CID19602103
Molecular FormulaC20H44FN
Molecular Weight317.58 g/mol
Exact Mass317.35
IUPAC Namediethyl(dioctyl)azanium fluoride
SMILESCCCCCCCC[N+](CC)(CC)CCCCCCCC.[F-]
InChIInChI=1S/C20H44N.FH/c1-5-9-11-13-15-17-19-21(7-3,8-4)20-18-16-14-12-10-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKeyDBKKQCKAFCFRPJ-UHFFFAOYSA-M
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.58
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze diethyl(dioctyl)azanium fluoride 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

dodecyl-[8-[dodecyl(diethyl)azaniumyl]octyl]-diethylazanium
CID 102081750
diethyl-di(pentadecyl)azanium
CID 14009104
diethyl-di(icosyl)azanium
CID 14009114
diethyl-heptyl-octylazanium bromide
CID 88763250
didodecyl(diethyl)azanium hydroxide
CID 87834319
diethyl(dipentyl)azanium bromide
CID 87777355
triethyl(tetradecyl)azanium
CID 28911
didecyl-ethyl-octylazanium
CID 172694602
triethyl(tetradecyl)azanium chloride
CID 15664048
triethyl(hexadecyl)azanium iodide
CID 18466277
triethyl(tetracosyl)azanium bromide
CID 153322859
docosyl(triethyl)azanium chloride
CID 42638705

Frequently Asked Questions

What is the IUPAC name of diethyl(dioctyl)azanium fluoride?
The IUPAC name of diethyl(dioctyl)azanium fluoride (CID 19602103) is diethyl(dioctyl)azanium fluoride.
What is the SMILES notation for diethyl(dioctyl)azanium fluoride?
The canonical SMILES for diethyl(dioctyl)azanium fluoride is CCCCCCCC[N+](CC)(CC)CCCCCCCC.[F-].
What is the InChIKey of diethyl(dioctyl)azanium fluoride?
The InChIKey is DBKKQCKAFCFRPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H44N.FH/c1-5-9-11-13-15-17-19-21(7-3,8-4)20-18-16-14-12-10-6-2;/h5-20H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl(dioctyl)azanium fluoride?
diethyl(dioctyl)azanium fluoride has a molecular weight of 317.58 g/mol, XLogP of 3.57, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(dioctyl)azanium fluoride is sourced from PubChem (CID 19602103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).