tetraethylazanium;fluoride;dihydrate

C8H24FNO2 — CID 2776564

IUPACtetraethylazanium;fluoride;dihydrate
SMILESCC[N+](CC)(CC)CC.O.O.[F-]
InChIInChI=1S/C8H20N.FH.2H2O/c1-5-9(6-2,7-3)8-4;;;/h5-8H2,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKeyHRTKQUHFGZFPPF-UHFFFAOYSA-M
MW185.28 g/mol
LogP-2.76
Rot. Bonds4

About tetraethylazanium;fluoride;dihydrate

tetraethylazanium;fluoride;dihydrate (PubChem CID 2776564) has the molecular formula C8H24FNO2 and a molecular weight of 185.28 g/mol. Its IUPAC name is tetraethylazanium;fluoride;dihydrate.

Molecular Properties

Compound Nametetraethylazanium;fluoride;dihydrate
PubChem CID2776564
Molecular FormulaC8H24FNO2
Molecular Weight185.28 g/mol
Exact Mass185.18
IUPAC Nametetraethylazanium;fluoride;dihydrate
SMILESCC[N+](CC)(CC)CC.O.O.[F-]
InChIInChI=1S/C8H20N.FH.2H2O/c1-5-9(6-2,7-3)8-4;;;/h5-8H2,1-4H3;1H;2*1H2/q+1;;;/p-1
InChIKeyHRTKQUHFGZFPPF-UHFFFAOYSA-M
XLogP-2.76
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 5-2.76
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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Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;fluoride;dihydrate?
The IUPAC name of tetraethylazanium;fluoride;dihydrate (CID 2776564) is tetraethylazanium;fluoride;dihydrate.
What is the SMILES notation for tetraethylazanium;fluoride;dihydrate?
The canonical SMILES for tetraethylazanium;fluoride;dihydrate is CC[N+](CC)(CC)CC.O.O.[F-].
What is the InChIKey of tetraethylazanium;fluoride;dihydrate?
The InChIKey is HRTKQUHFGZFPPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.FH.2H2O/c1-5-9(6-2,7-3)8-4;;;/h5-8H2,1-4H3;1H;2*1H2/q+1;;;/p-1.
What are the key properties of tetraethylazanium;fluoride;dihydrate?
tetraethylazanium;fluoride;dihydrate has a molecular weight of 185.28 g/mol, XLogP of -2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;fluoride;dihydrate is sourced from PubChem (CID 2776564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).