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

C8H18BF4NO — CID 23116068

IUPAC1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCOC(C)[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C8H18NO.BF4/c1-8(10-3)9(2)6-4-5-7-9;2-1(3,4)5/h8H,4-7H2,1-3H3;/q+1;-1
InChIKeyODEPNPICSMCBPG-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.52
Rot. Bonds2

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

1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 23116068) has the molecular formula C8H18BF4NO and a molecular weight of 231.04 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
PubChem CID23116068
Molecular FormulaC8H18BF4NO
Molecular Weight231.04 g/mol
Exact Mass231.14
IUPAC Name1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCOC(C)[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C8H18NO.BF4/c1-8(10-3)9(2)6-4-5-7-9;2-1(3,4)5/h8H,4-7H2,1-3H3;/q+1;-1
InChIKeyODEPNPICSMCBPG-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate (CID 23116068) is 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate is COC(C)[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is ODEPNPICSMCBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO.BF4/c1-8(10-3)9(2)6-4-5-7-9;2-1(3,4)5/h8H,4-7H2,1-3H3;/q+1;-1.
What are the key properties of 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 231.04 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 23116068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).