1-ethylpyrrolidin-1-ium tetrafluoroborate

C6H14BF4N — CID 87289720

IUPAC1-ethylpyrrolidin-1-ium tetrafluoroborate
SMILESCC[NH+]1CCCC1.F[B-](F)(F)F
InChIInChI=1S/C6H13N.BF4/c1-2-7-5-3-4-6-7;2-1(3,4)5/h2-6H2,1H3;/q;-1/p+1
InChIKeyXHBMQIZUCVXFCU-UHFFFAOYSA-O
MW186.99 g/mol
LogP0.99
Rot. Bonds1

About 1-ethylpyrrolidin-1-ium tetrafluoroborate

1-ethylpyrrolidin-1-ium tetrafluoroborate (PubChem CID 87289720) has the molecular formula C6H14BF4N and a molecular weight of 186.99 g/mol. Its IUPAC name is 1-ethylpyrrolidin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-ethylpyrrolidin-1-ium tetrafluoroborate
PubChem CID87289720
Molecular FormulaC6H14BF4N
Molecular Weight186.99 g/mol
Exact Mass187.12
IUPAC Name1-ethylpyrrolidin-1-ium tetrafluoroborate
SMILESCC[NH+]1CCCC1.F[B-](F)(F)F
InChIInChI=1S/C6H13N.BF4/c1-2-7-5-3-4-6-7;2-1(3,4)5/h2-6H2,1H3;/q;-1/p+1
InChIKeyXHBMQIZUCVXFCU-UHFFFAOYSA-O
XLogP0.99
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.99
LogP ≤ 50.99
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 1-ethylpyrrolidin-1-ium tetrafluoroborate?
The IUPAC name of 1-ethylpyrrolidin-1-ium tetrafluoroborate (CID 87289720) is 1-ethylpyrrolidin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-ethylpyrrolidin-1-ium tetrafluoroborate?
The canonical SMILES for 1-ethylpyrrolidin-1-ium tetrafluoroborate is CC[NH+]1CCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-ethylpyrrolidin-1-ium tetrafluoroborate?
The InChIKey is XHBMQIZUCVXFCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N.BF4/c1-2-7-5-3-4-6-7;2-1(3,4)5/h2-6H2,1H3;/q;-1/p+1.
What are the key properties of 1-ethylpyrrolidin-1-ium tetrafluoroborate?
1-ethylpyrrolidin-1-ium tetrafluoroborate has a molecular weight of 186.99 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidin-1-ium tetrafluoroborate is sourced from PubChem (CID 87289720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).