2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride

C9H9F2N3O2S — CID 23028096

IUPAC2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride
SMILESCCCc1ccc2nc(F)c(S(=O)(=O)F)n2n1
InChIInChI=1S/C9H9F2N3O2S/c1-2-3-6-4-5-7-12-8(10)9(14(7)13-6)17(11,15)16/h4-5H,2-3H2,1H3
InChIKeyINPCSGUIVWHVHP-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.48
Rot. Bonds3

About 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride

2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride (PubChem CID 23028096) has the molecular formula C9H9F2N3O2S and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride.

Molecular Properties

Compound Name2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride
PubChem CID23028096
Molecular FormulaC9H9F2N3O2S
Molecular Weight261.25 g/mol
Exact Mass261.04
IUPAC Name2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride
SMILESCCCc1ccc2nc(F)c(S(=O)(=O)F)n2n1
InChIInChI=1S/C9H9F2N3O2S/c1-2-3-6-4-5-7-12-8(10)9(14(7)13-6)17(11,15)16/h4-5H,2-3H2,1H3
InChIKeyINPCSGUIVWHVHP-UHFFFAOYSA-N
XLogP1.48
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride?
The IUPAC name of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride (CID 23028096) is 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride.
What is the SMILES notation for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride?
The canonical SMILES for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride is CCCc1ccc2nc(F)c(S(=O)(=O)F)n2n1.
What is the InChIKey of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride?
The InChIKey is INPCSGUIVWHVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2S/c1-2-3-6-4-5-7-12-8(10)9(14(7)13-6)17(11,15)16/h4-5H,2-3H2,1H3.
What are the key properties of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride?
2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride has a molecular weight of 261.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride is sourced from PubChem (CID 23028096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).