bis(2-methoxyethyl)azanium tetrafluoroborate

C6H16BF4NO2 — CID 87299857

IUPACbis(2-methoxyethyl)azanium tetrafluoroborate
SMILESCOCC[NH2+]CCOC.F[B-](F)(F)F
InChIInChI=1S/C6H15NO2.BF4/c1-8-5-3-7-4-6-9-2;2-1(3,4)5/h7H,3-6H2,1-2H3;/q;-1/p+1
InChIKeyRXUOWCSDQSINNP-UHFFFAOYSA-O
MW221.00 g/mol
LogP0.14
Rot. Bonds6

About bis(2-methoxyethyl)azanium tetrafluoroborate

bis(2-methoxyethyl)azanium tetrafluoroborate (PubChem CID 87299857) has the molecular formula C6H16BF4NO2 and a molecular weight of 221.00 g/mol. Its IUPAC name is bis(2-methoxyethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namebis(2-methoxyethyl)azanium tetrafluoroborate
PubChem CID87299857
Molecular FormulaC6H16BF4NO2
Molecular Weight221.00 g/mol
Exact Mass221.12
IUPAC Namebis(2-methoxyethyl)azanium tetrafluoroborate
SMILESCOCC[NH2+]CCOC.F[B-](F)(F)F
InChIInChI=1S/C6H15NO2.BF4/c1-8-5-3-7-4-6-9-2;2-1(3,4)5/h7H,3-6H2,1-2H3;/q;-1/p+1
InChIKeyRXUOWCSDQSINNP-UHFFFAOYSA-O
XLogP0.14
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-methoxyethyl)azanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-methoxyethyl)azanium;2-hydroxyacetate
CID 87300456
benzene-1,2,3,4-tetracarboxylate;tetrakis(bis(2-methoxyethyl)azanium)
CID 67441557
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
2-methoxyethyl(trimethyl)silane tritetrafluoroborate
CID 173469889
benzene-1,2,3-tricarboxylate;tris(bis(2-methoxyethyl)azanium)
CID 67180263
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrakis(bis(2-methoxyethyl)azanium)
CID 140529116
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethane
CID 118566183
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
1-fluoro-2-methoxyethane
CID 12317
trifluoro-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]boranuide
CID 140702553
1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
CID 87174992

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl)azanium tetrafluoroborate?
The IUPAC name of bis(2-methoxyethyl)azanium tetrafluoroborate (CID 87299857) is bis(2-methoxyethyl)azanium tetrafluoroborate.
What is the SMILES notation for bis(2-methoxyethyl)azanium tetrafluoroborate?
The canonical SMILES for bis(2-methoxyethyl)azanium tetrafluoroborate is COCC[NH2+]CCOC.F[B-](F)(F)F.
What is the InChIKey of bis(2-methoxyethyl)azanium tetrafluoroborate?
The InChIKey is RXUOWCSDQSINNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15NO2.BF4/c1-8-5-3-7-4-6-9-2;2-1(3,4)5/h7H,3-6H2,1-2H3;/q;-1/p+1.
What are the key properties of bis(2-methoxyethyl)azanium tetrafluoroborate?
bis(2-methoxyethyl)azanium tetrafluoroborate has a molecular weight of 221.00 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl)azanium tetrafluoroborate is sourced from PubChem (CID 87299857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).