pyrrolidin-1-ium tetrafluoroborate

C4H10BF4N — CID 15948184

IUPACpyrrolidin-1-ium tetrafluoroborate
SMILESC1CC[NH2+]C1.F[B-](F)(F)F
InChIInChI=1S/C4H9N.BF4/c1-2-4-5-3-1;2-1(3,4)5/h5H,1-4H2;/q;-1/p+1
InChIKeyNCECNEQWVFPYOD-UHFFFAOYSA-O
MW158.94 g/mol
LogP0.64
Rot. Bonds

About pyrrolidin-1-ium tetrafluoroborate

pyrrolidin-1-ium tetrafluoroborate (PubChem CID 15948184) has the molecular formula C4H10BF4N and a molecular weight of 158.94 g/mol. Its IUPAC name is pyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Namepyrrolidin-1-ium tetrafluoroborate
PubChem CID15948184
Molecular FormulaC4H10BF4N
Molecular Weight158.94 g/mol
Exact Mass159.08
IUPAC Namepyrrolidin-1-ium tetrafluoroborate
SMILESC1CC[NH2+]C1.F[B-](F)(F)F
InChIInChI=1S/C4H9N.BF4/c1-2-4-5-3-1;2-1(3,4)5/h5H,1-4H2;/q;-1/p+1
InChIKeyNCECNEQWVFPYOD-UHFFFAOYSA-O
XLogP0.64
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.94
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of pyrrolidin-1-ium tetrafluoroborate (CID 15948184) is pyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for pyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for pyrrolidin-1-ium tetrafluoroborate is C1CC[NH2+]C1.F[B-](F)(F)F.
What is the InChIKey of pyrrolidin-1-ium tetrafluoroborate?
The InChIKey is NCECNEQWVFPYOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N.BF4/c1-2-4-5-3-1;2-1(3,4)5/h5H,1-4H2;/q;-1/p+1.
What are the key properties of pyrrolidin-1-ium tetrafluoroborate?
pyrrolidin-1-ium tetrafluoroborate has a molecular weight of 158.94 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 15948184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).