1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate

C8H18BF4NO — CID 87174992

IUPAC1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCOCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C8H18NO.BF4/c1-9(7-8-10-2)5-3-4-6-9;2-1(3,4)5/h3-8H2,1-2H3;/q+1;-1
InChIKeyWUPGKMOHZLZKTR-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate

1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 87174992) has the molecular formula C8H18BF4NO and a molecular weight of 231.04 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
PubChem CID87174992
Molecular FormulaC8H18BF4NO
Molecular Weight231.04 g/mol
Exact Mass231.14
IUPAC Name1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCOCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C8H18NO.BF4/c1-9(7-8-10-2)5-3-4-6-9;2-1(3,4)5/h3-8H2,1-2H3;/q+1;-1
InChIKeyWUPGKMOHZLZKTR-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.17
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'}

Analyze 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium 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

1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157913
1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoro(1,1,2,2,2-pentafluoroethyl)boranuide
CID 12157912
1-(2-Methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoro(trifluoromethyl)boranuide
CID 87204716
(3S)-1-(2-ethoxyethyl)-3-fluoropyrrolidine
CID 88974397
1-(2-Ethoxyethyl)-3-fluoropyrrolidine
CID 130400124
1-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-1-ium
CID 138687379
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine;ethane
CID 156798364
Trifluoro(2-pyrrolidin-1-ylethoxymethyl)boranuide
CID 49761740
1-(2-Ethoxyethyl)-1-methylpyrrolidin-1-ium
CID 12157915
1-(2-Ethoxyethyl)pyrrolidine
CID 19977928
1-(2-Propoxyethyl)pyrrolidine
CID 22743294
1-(1-Methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
CID 23116068

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate (CID 87174992) is 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate is COCC[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is WUPGKMOHZLZKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.BF4/c1-9(7-8-10-2)5-3-4-6-9;2-1(3,4)5/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 231.04 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 87174992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).