1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate

C7H16BF4NO — CID 87282217

IUPAC1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCOC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C7H16NO.BF4/c1-8(7-9-2)5-3-4-6-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
InChIKeyABVQNHJLVPYPMU-UHFFFAOYSA-N
MW217.01 g/mol
LogP2.13
Rot. Bonds2

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

1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 87282217) has the molecular formula C7H16BF4NO and a molecular weight of 217.01 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
PubChem CID87282217
Molecular FormulaC7H16BF4NO
Molecular Weight217.01 g/mol
Exact Mass217.13
IUPAC Name1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCOC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C7H16NO.BF4/c1-8(7-9-2)5-3-4-6-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
InChIKeyABVQNHJLVPYPMU-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.01
LogP ≤ 52.13
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-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate (CID 87282217) is 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate is COC[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is ABVQNHJLVPYPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO.BF4/c1-8(7-9-2)5-3-4-6-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate?
1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 217.01 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-methylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 87282217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).