bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane

C16H40FN2O3P — CID 159758461

IUPACbis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane
SMILESCCCC[NH2+]CCCC.CCCC[NH2+]CCCC.O=P([O-])([O-])F
InChIInChI=1S/2C8H19N.FH2O3P/c2*1-3-5-7-9-8-6-4-2;1-5(2,3)4/h2*9H,3-8H2,1-2H3;(H2,2,3,4)
InChIKeyNEOKZCLNLYCQSM-UHFFFAOYSA-N
MW358.48 g/mol
LogP1.08
Rot. Bonds12

About bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane

bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane (PubChem CID 159758461) has the molecular formula C16H40FN2O3P and a molecular weight of 358.48 g/mol. Its IUPAC name is bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namebis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane
PubChem CID159758461
Molecular FormulaC16H40FN2O3P
Molecular Weight358.48 g/mol
Exact Mass358.28
IUPAC Namebis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane
SMILESCCCC[NH2+]CCCC.CCCC[NH2+]CCCC.O=P([O-])([O-])F
InChIInChI=1S/2C8H19N.FH2O3P/c2*1-3-5-7-9-8-6-4-2;1-5(2,3)4/h2*9H,3-8H2,1-2H3;(H2,2,3,4)
InChIKeyNEOKZCLNLYCQSM-UHFFFAOYSA-N
XLogP1.08
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane 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

dibutylazanium hexafluorophosphate
CID 23620950
butyl(dodecyl)azanium
CID 91941247
CID 139206332
CID 139206332
butyl(tetradecyl)azanium chloride
CID 20788665
butane;lanthanum(3+);phosphate
CID 118953489
didodecylazanium fluoride
CID 87135434
dioctadecylazanium tetrafluoroborate
CID 140565722
azanium;dioctadecylazanium;dichloride
CID 172767895
fluorophosphonic acid;hexane;hydrobromide
CID 175894647
ethyl(octadecyl)azanium;methoxy(octadecyl)phosphinate
CID 140738876
bis(2-hydroxyethyl)azanium;hexadecyl hydrogen phosphate
CID 164511657
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447

Frequently Asked Questions

What is the IUPAC name of bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane?
The IUPAC name of bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane (CID 159758461) is bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane?
The canonical SMILES for bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane is CCCC[NH2+]CCCC.CCCC[NH2+]CCCC.O=P([O-])([O-])F.
What is the InChIKey of bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane?
The InChIKey is NEOKZCLNLYCQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H19N.FH2O3P/c2*1-3-5-7-9-8-6-4-2;1-5(2,3)4/h2*9H,3-8H2,1-2H3;(H2,2,3,4).
What are the key properties of bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane?
bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane has a molecular weight of 358.48 g/mol, XLogP of 1.08, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutylazanium);fluoro-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 159758461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).