2-ethoxyethyl(trimethyl)azanium;fluoromethane

C8H21FNO+ — CID 174704150

IUPAC2-ethoxyethyl(trimethyl)azanium;fluoromethane
SMILESCCOCC[N+](C)(C)C.CF
InChIInChI=1S/C7H18NO.CH3F/c1-5-9-7-6-8(2,3)4;1-2/h5-7H2,1-4H3;1H3/q+1;
InChIKeyFQBSICUECOZSAT-UHFFFAOYSA-N
MW166.26 g/mol
LogP1.31
Rot. Bonds4

About 2-ethoxyethyl(trimethyl)azanium;fluoromethane

2-ethoxyethyl(trimethyl)azanium;fluoromethane (PubChem CID 174704150) has the molecular formula C8H21FNO+ and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-ethoxyethyl(trimethyl)azanium;fluoromethane.

Molecular Properties

Compound Name2-ethoxyethyl(trimethyl)azanium;fluoromethane
PubChem CID174704150
Molecular FormulaC8H21FNO+
Molecular Weight166.26 g/mol
Exact Mass166.16
IUPAC Name2-ethoxyethyl(trimethyl)azanium;fluoromethane
SMILESCCOCC[N+](C)(C)C.CF
InChIInChI=1S/C7H18NO.CH3F/c1-5-9-7-6-8(2,3)4;1-2/h5-7H2,1-4H3;1H3/q+1;
InChIKeyFQBSICUECOZSAT-UHFFFAOYSA-N
XLogP1.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethoxyethyl)-dimethylazanium bromide
CID 167445593
trimethyl-[2-[2-[2-(trimethylazaniumyl)ethoxy]ethoxy]ethyl]azanium;hydrochloride
CID 174841287
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
2-ethoxyethoxymethyl(trimethyl)azanium chloride
CID 170555157
trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
1,2-diethoxyethane;hydrofluoride
CID 175535770
ethoxyethane;sulfane
CID 87243372
ethoxyethane;sulfane
CID 90240371
2-ethoxyethyl-diethyl-propylazanium bromide
CID 167445603
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium
CID 174575298

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl(trimethyl)azanium;fluoromethane?
The IUPAC name of 2-ethoxyethyl(trimethyl)azanium;fluoromethane (CID 174704150) is 2-ethoxyethyl(trimethyl)azanium;fluoromethane.
What is the SMILES notation for 2-ethoxyethyl(trimethyl)azanium;fluoromethane?
The canonical SMILES for 2-ethoxyethyl(trimethyl)azanium;fluoromethane is CCOCC[N+](C)(C)C.CF.
What is the InChIKey of 2-ethoxyethyl(trimethyl)azanium;fluoromethane?
The InChIKey is FQBSICUECOZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO.CH3F/c1-5-9-7-6-8(2,3)4;1-2/h5-7H2,1-4H3;1H3/q+1;.
What are the key properties of 2-ethoxyethyl(trimethyl)azanium;fluoromethane?
2-ethoxyethyl(trimethyl)azanium;fluoromethane has a molecular weight of 166.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl(trimethyl)azanium;fluoromethane is sourced from PubChem (CID 174704150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).