1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate

C7H16BF4N — CID 18374068

IUPAC1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C7H16N.BF4/c1-3-8(2)6-4-5-7-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
InChIKeyLAGDCVJRCOKWTN-UHFFFAOYSA-N
MW201.02 g/mol
LogP2.55
Rot. Bonds1

About 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate

1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 18374068) has the molecular formula C7H16BF4N and a molecular weight of 201.02 g/mol. Its IUPAC name is 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate
PubChem CID18374068
Molecular FormulaC7H16BF4N
Molecular Weight201.02 g/mol
Exact Mass201.13
IUPAC Name1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate
SMILESCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C7H16N.BF4/c1-3-8(2)6-4-5-7-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1
InChIKeyLAGDCVJRCOKWTN-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate (CID 18374068) is 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate is CC[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is LAGDCVJRCOKWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.BF4/c1-3-8(2)6-4-5-7-8;2-1(3,4)5/h3-7H2,1-2H3;/q+1;-1.
What are the key properties of 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate?
1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 201.02 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 18374068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).