1-butyl-4-methylimidazole tetrafluoroborate

C8H14BF4N2- — CID 174714624

IUPAC1-butyl-4-methylimidazole tetrafluoroborate
SMILESCCCCn1cnc(C)c1.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-3-4-5-10-6-8(2)9-7-10;2-1(3,4)5/h6-7H,3-5H2,1-2H3;/q;-1
InChIKeyGBTYLAFBSBFVCW-UHFFFAOYSA-N
MW225.02 g/mol
LogP3.29
Rot. Bonds3

About 1-butyl-4-methylimidazole tetrafluoroborate

1-butyl-4-methylimidazole tetrafluoroborate (PubChem CID 174714624) has the molecular formula C8H14BF4N2- and a molecular weight of 225.02 g/mol. Its IUPAC name is 1-butyl-4-methylimidazole tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-4-methylimidazole tetrafluoroborate
PubChem CID174714624
Molecular FormulaC8H14BF4N2-
Molecular Weight225.02 g/mol
Exact Mass225.12
IUPAC Name1-butyl-4-methylimidazole tetrafluoroborate
SMILESCCCCn1cnc(C)c1.F[B-](F)(F)F
InChIInChI=1S/C8H14N2.BF4/c1-3-4-5-10-6-8(2)9-7-10;2-1(3,4)5/h6-7H,3-5H2,1-2H3;/q;-1
InChIKeyGBTYLAFBSBFVCW-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.02
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-butyl-4-methylimidazole tetrafluoroborate?
The IUPAC name of 1-butyl-4-methylimidazole tetrafluoroborate (CID 174714624) is 1-butyl-4-methylimidazole tetrafluoroborate.
What is the SMILES notation for 1-butyl-4-methylimidazole tetrafluoroborate?
The canonical SMILES for 1-butyl-4-methylimidazole tetrafluoroborate is CCCCn1cnc(C)c1.F[B-](F)(F)F.
What is the InChIKey of 1-butyl-4-methylimidazole tetrafluoroborate?
The InChIKey is GBTYLAFBSBFVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.BF4/c1-3-4-5-10-6-8(2)9-7-10;2-1(3,4)5/h6-7H,3-5H2,1-2H3;/q;-1.
What are the key properties of 1-butyl-4-methylimidazole tetrafluoroborate?
1-butyl-4-methylimidazole tetrafluoroborate has a molecular weight of 225.02 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylimidazole tetrafluoroborate is sourced from PubChem (CID 174714624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).