6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate

C7H9BF5N3 — CID 88601901

IUPAC6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate
SMILESCN1CC[n+]2nc(F)ccc21.F[B-](F)(F)F
InChIInChI=1S/C7H9FN3.BF4/c1-10-4-5-11-7(10)3-2-6(8)9-11;2-1(3,4)5/h2-3H,4-5H2,1H3;/q+1;-1
InChIKeyDYAAHMDUOJWLHA-UHFFFAOYSA-N
MW240.97 g/mol
LogP1.26
Rot. Bonds

About 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate

6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate (PubChem CID 88601901) has the molecular formula C7H9BF5N3 and a molecular weight of 240.97 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate.

Molecular Properties

Compound Name6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate
PubChem CID88601901
Molecular FormulaC7H9BF5N3
Molecular Weight240.97 g/mol
Exact Mass241.08
IUPAC Name6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate
SMILESCN1CC[n+]2nc(F)ccc21.F[B-](F)(F)F
InChIInChI=1S/C7H9FN3.BF4/c1-10-4-5-11-7(10)3-2-6(8)9-11;2-1(3,4)5/h2-3H,4-5H2,1H3;/q+1;-1
InChIKeyDYAAHMDUOJWLHA-UHFFFAOYSA-N
XLogP1.26
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.97
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate?
The IUPAC name of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate (CID 88601901) is 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate.
What is the SMILES notation for 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate?
The canonical SMILES for 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate is CN1CC[n+]2nc(F)ccc21.F[B-](F)(F)F.
What is the InChIKey of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate?
The InChIKey is DYAAHMDUOJWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN3.BF4/c1-10-4-5-11-7(10)3-2-6(8)9-11;2-1(3,4)5/h2-3H,4-5H2,1H3;/q+1;-1.
What are the key properties of 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate?
6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate has a molecular weight of 240.97 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-4-ium tetrafluoroborate is sourced from PubChem (CID 88601901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).