2-butan-2-yl-1H-pyrrole tetrafluoroborate

C8H13BF4N- — CID 161282089

IUPAC2-butan-2-yl-1H-pyrrole tetrafluoroborate
SMILESCCC(C)c1ccc[nH]1.F[B-](F)(F)F
InChIInChI=1S/C8H13N.BF4/c1-3-7(2)8-5-4-6-9-8;2-1(3,4)5/h4-7,9H,3H2,1-2H3;/q;-1
InChIKeyVFFNNSIKASKPDA-UHFFFAOYSA-N
MW210.00 g/mol
LogP3.83
Rot. Bonds2

About 2-butan-2-yl-1H-pyrrole tetrafluoroborate

2-butan-2-yl-1H-pyrrole tetrafluoroborate (PubChem CID 161282089) has the molecular formula C8H13BF4N- and a molecular weight of 210.00 g/mol. Its IUPAC name is 2-butan-2-yl-1H-pyrrole tetrafluoroborate.

Molecular Properties

Compound Name2-butan-2-yl-1H-pyrrole tetrafluoroborate
PubChem CID161282089
Molecular FormulaC8H13BF4N-
Molecular Weight210.00 g/mol
Exact Mass210.11
IUPAC Name2-butan-2-yl-1H-pyrrole tetrafluoroborate
SMILESCCC(C)c1ccc[nH]1.F[B-](F)(F)F
InChIInChI=1S/C8H13N.BF4/c1-3-7(2)8-5-4-6-9-8;2-1(3,4)5/h4-7,9H,3H2,1-2H3;/q;-1
InChIKeyVFFNNSIKASKPDA-UHFFFAOYSA-N
XLogP3.83
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.00
LogP ≤ 53.83
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 2-butan-2-yl-1H-pyrrole tetrafluoroborate?
The IUPAC name of 2-butan-2-yl-1H-pyrrole tetrafluoroborate (CID 161282089) is 2-butan-2-yl-1H-pyrrole tetrafluoroborate.
What is the SMILES notation for 2-butan-2-yl-1H-pyrrole tetrafluoroborate?
The canonical SMILES for 2-butan-2-yl-1H-pyrrole tetrafluoroborate is CCC(C)c1ccc[nH]1.F[B-](F)(F)F.
What is the InChIKey of 2-butan-2-yl-1H-pyrrole tetrafluoroborate?
The InChIKey is VFFNNSIKASKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.BF4/c1-3-7(2)8-5-4-6-9-8;2-1(3,4)5/h4-7,9H,3H2,1-2H3;/q;-1.
What are the key properties of 2-butan-2-yl-1H-pyrrole tetrafluoroborate?
2-butan-2-yl-1H-pyrrole tetrafluoroborate has a molecular weight of 210.00 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1H-pyrrole tetrafluoroborate is sourced from PubChem (CID 161282089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).