1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate

C8H18BF4N — CID 23117222

IUPAC1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate
SMILESCCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C8H18N.BF4/c1-3-6-9(2)7-4-5-8-9;2-1(3,4)5/h3-8H2,1-2H3;/q+1;-1
InChIKeyDDVSOVNZOFGINO-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.94
Rot. Bonds2

About 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate

1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 23117222) has the molecular formula C8H18BF4N and a molecular weight of 215.04 g/mol. Its IUPAC name is 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate
PubChem CID23117222
Molecular FormulaC8H18BF4N
Molecular Weight215.04 g/mol
Exact Mass215.15
IUPAC Name1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate
SMILESCCC[N+]1(C)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C8H18N.BF4/c1-3-6-9(2)7-4-5-8-9;2-1(3,4)5/h3-8H2,1-2H3;/q+1;-1
InChIKeyDDVSOVNZOFGINO-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.94
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-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate (CID 23117222) is 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate is CCC[N+]1(C)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is DDVSOVNZOFGINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.BF4/c1-3-6-9(2)7-4-5-8-9;2-1(3,4)5/h3-8H2,1-2H3;/q+1;-1.
What are the key properties of 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate?
1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 215.04 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-propylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 23117222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).