tetrabutylazanium;fluoride;dihydrate

C16H40FNO2 — CID 22343550

IUPACtetrabutylazanium;fluoride;dihydrate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O.O.[F-]
InChIInChI=1S/C16H36N.FH.2H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKeyKRQDYDFKKLTJPQ-UHFFFAOYSA-M
MW297.50 g/mol
LogP0.36
Rot. Bonds12

About tetrabutylazanium;fluoride;dihydrate

tetrabutylazanium;fluoride;dihydrate (PubChem CID 22343550) has the molecular formula C16H40FNO2 and a molecular weight of 297.50 g/mol. Its IUPAC name is tetrabutylazanium;fluoride;dihydrate.

Molecular Properties

Compound Nametetrabutylazanium;fluoride;dihydrate
PubChem CID22343550
Molecular FormulaC16H40FNO2
Molecular Weight297.50 g/mol
Exact Mass297.30
IUPAC Nametetrabutylazanium;fluoride;dihydrate
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O.O.[F-]
InChIInChI=1S/C16H36N.FH.2H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKeyKRQDYDFKKLTJPQ-UHFFFAOYSA-M
XLogP0.36
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.50
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylazanium;pentahydrate
CID 173386676
phosphane;tetrabutylazanium;fluoride
CID 174703499
silane;tetrabutylazanium;fluoride
CID 174896730
cesium;hydride;tetrabutylazanium;hydrate
CID 174975191
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
tributyl(triacontyl)azanium
CID 153322884
tetrabutylazanium;chloride;hydrobromide
CID 160850218
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
potassium;tetrabutylazanium;diiodide
CID 144841578
dibutyl(diheptyl)azanium
CID 87534229

Frequently Asked Questions

What is the IUPAC name of tetrabutylazanium;fluoride;dihydrate?
The IUPAC name of tetrabutylazanium;fluoride;dihydrate (CID 22343550) is tetrabutylazanium;fluoride;dihydrate.
What is the SMILES notation for tetrabutylazanium;fluoride;dihydrate?
The canonical SMILES for tetrabutylazanium;fluoride;dihydrate is CCCC[N+](CCCC)(CCCC)CCCC.O.O.[F-].
What is the InChIKey of tetrabutylazanium;fluoride;dihydrate?
The InChIKey is KRQDYDFKKLTJPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.FH.2H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;/h5-16H2,1-4H3;1H;2*1H2/q+1;;;/p-1.
What are the key properties of tetrabutylazanium;fluoride;dihydrate?
tetrabutylazanium;fluoride;dihydrate has a molecular weight of 297.50 g/mol, XLogP of 0.36, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrabutylazanium;fluoride;dihydrate is sourced from PubChem (CID 22343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).