triethyl(phenyl)azanium;hydroxide;hydrofluoride

C12H22FNO — CID 139832069

IUPACtriethyl(phenyl)azanium;hydroxide;hydrofluoride
SMILESCC[N+](CC)(CC)c1ccccc1.F.[OH-]
InChIInChI=1S/C12H20N.FH.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;;/h7-11H,4-6H2,1-3H3;1H;1H2/q+1;;/p-1
InChIKeyGGMVUINRWLEZDW-UHFFFAOYSA-M
MW215.31 g/mol
LogP3.03
Rot. Bonds4

About triethyl(phenyl)azanium;hydroxide;hydrofluoride

triethyl(phenyl)azanium;hydroxide;hydrofluoride (PubChem CID 139832069) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is triethyl(phenyl)azanium;hydroxide;hydrofluoride.

Molecular Properties

Compound Nametriethyl(phenyl)azanium;hydroxide;hydrofluoride
PubChem CID139832069
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Nametriethyl(phenyl)azanium;hydroxide;hydrofluoride
SMILESCC[N+](CC)(CC)c1ccccc1.F.[OH-]
InChIInChI=1S/C12H20N.FH.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;;/h7-11H,4-6H2,1-3H3;1H;1H2/q+1;;/p-1
InChIKeyGGMVUINRWLEZDW-UHFFFAOYSA-M
XLogP3.03
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

triethyl(phenyl)azanium hydroxide
CID 2735149
azane;triethyl(phenyl)azanium;hydrate
CID 174742361
phosphane;triethyl(phenyl)azanium;bromide;hydrobromide
CID 174774138
oxido(oxo)borane;triethyl(phenyl)azanium
CID 14746837
propanoate;triethyl(phenyl)azanium
CID 146567529
dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
CID 159297233
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-heptadecyl-phenylazanium
CID 163210934
diethyl-icosyl-phenylazanium bromide
CID 163210919
dodecyl-diethyl-phenylazanium chloride
CID 70521087
diethyl-octyl-phenylazanium iodide
CID 175060834
2-hydroxypropane-1,2,3-tricarboxylic acid;triethyl(phenyl)azanium
CID 146567455

Frequently Asked Questions

What is the IUPAC name of triethyl(phenyl)azanium;hydroxide;hydrofluoride?
The IUPAC name of triethyl(phenyl)azanium;hydroxide;hydrofluoride (CID 139832069) is triethyl(phenyl)azanium;hydroxide;hydrofluoride.
What is the SMILES notation for triethyl(phenyl)azanium;hydroxide;hydrofluoride?
The canonical SMILES for triethyl(phenyl)azanium;hydroxide;hydrofluoride is CC[N+](CC)(CC)c1ccccc1.F.[OH-].
What is the InChIKey of triethyl(phenyl)azanium;hydroxide;hydrofluoride?
The InChIKey is GGMVUINRWLEZDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.FH.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;;/h7-11H,4-6H2,1-3H3;1H;1H2/q+1;;/p-1.
What are the key properties of triethyl(phenyl)azanium;hydroxide;hydrofluoride?
triethyl(phenyl)azanium;hydroxide;hydrofluoride has a molecular weight of 215.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(phenyl)azanium;hydroxide;hydrofluoride is sourced from PubChem (CID 139832069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).