1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate

C10H22BF4NO — CID 87289717

IUPAC1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate
SMILESCCC[N+]1(COCC)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C10H22NO.BF4/c1-3-7-11(10-12-4-2)8-5-6-9-11;2-1(3,4)5/h3-10H2,1-2H3;/q+1;-1
InChIKeyCIQRFRIPMFKONF-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.30
Rot. Bonds5

About 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate

1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 87289717) has the molecular formula C10H22BF4NO and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate
PubChem CID87289717
Molecular FormulaC10H22BF4NO
Molecular Weight259.10 g/mol
Exact Mass259.17
IUPAC Name1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate
SMILESCCC[N+]1(COCC)CCCC1.F[B-](F)(F)F
InChIInChI=1S/C10H22NO.BF4/c1-3-7-11(10-12-4-2)8-5-6-9-11;2-1(3,4)5/h3-10H2,1-2H3;/q+1;-1
InChIKeyCIQRFRIPMFKONF-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.30
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-(ethoxymethyl)-1-propylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate (CID 87289717) is 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate is CCC[N+]1(COCC)CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is CIQRFRIPMFKONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO.BF4/c1-3-7-11(10-12-4-2)8-5-6-9-11;2-1(3,4)5/h3-10H2,1-2H3;/q+1;-1.
What are the key properties of 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate?
1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 259.10 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-propylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 87289717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).