2-methoxyethyl(trimethyl)azanium tetrafluoroborate

C6H16BF4NO — CID 87222095

IUPAC2-methoxyethyl(trimethyl)azanium tetrafluoroborate
SMILESCOCC[N+](C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C6H16NO.BF4/c1-7(2,3)5-6-8-4;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1
InChIKeySDUYPUZNACOQFS-UHFFFAOYSA-N
MW205.00 g/mol
LogP1.64
Rot. Bonds3

About 2-methoxyethyl(trimethyl)azanium tetrafluoroborate

2-methoxyethyl(trimethyl)azanium tetrafluoroborate (PubChem CID 87222095) has the molecular formula C6H16BF4NO and a molecular weight of 205.00 g/mol. Its IUPAC name is 2-methoxyethyl(trimethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Name2-methoxyethyl(trimethyl)azanium tetrafluoroborate
PubChem CID87222095
Molecular FormulaC6H16BF4NO
Molecular Weight205.00 g/mol
Exact Mass205.13
IUPAC Name2-methoxyethyl(trimethyl)azanium tetrafluoroborate
SMILESCOCC[N+](C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C6H16NO.BF4/c1-7(2,3)5-6-8-4;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1
InChIKeySDUYPUZNACOQFS-UHFFFAOYSA-N
XLogP1.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.00
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
CID 160720515
methane;3-methoxypropyl(trimethyl)azanium
CID 159181056
diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
CID 157061128
diethyl-(2-methoxyethyl)-methylazanium iodide
CID 71374868
fluoromethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 146629304
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate;2-methoxyethyl(trimethyl)azanium
CID 118645294
bis(2-methoxyethyl)azanium tetrafluoroborate
CID 87299857
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
triethyl-[2-(2-methoxyethoxy)ethyl]azanium tetrafluoroborate
CID 87737614
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
2-methoxyethyl(trimethyl)silane tritetrafluoroborate
CID 173469889

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl(trimethyl)azanium tetrafluoroborate?
The IUPAC name of 2-methoxyethyl(trimethyl)azanium tetrafluoroborate (CID 87222095) is 2-methoxyethyl(trimethyl)azanium tetrafluoroborate.
What is the SMILES notation for 2-methoxyethyl(trimethyl)azanium tetrafluoroborate?
The canonical SMILES for 2-methoxyethyl(trimethyl)azanium tetrafluoroborate is COCC[N+](C)(C)C.F[B-](F)(F)F.
What is the InChIKey of 2-methoxyethyl(trimethyl)azanium tetrafluoroborate?
The InChIKey is SDUYPUZNACOQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO.BF4/c1-7(2,3)5-6-8-4;2-1(3,4)5/h5-6H2,1-4H3;/q+1;-1.
What are the key properties of 2-methoxyethyl(trimethyl)azanium tetrafluoroborate?
2-methoxyethyl(trimethyl)azanium tetrafluoroborate has a molecular weight of 205.00 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl(trimethyl)azanium tetrafluoroborate is sourced from PubChem (CID 87222095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).