2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine

C10H8F4N4 — CID 168861822

IUPAC2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESFC1(F)CN(c2cn3ncccc3n2)CC1(F)F
InChIInChI=1S/C10H8F4N4/c11-9(12)5-17(6-10(9,13)14)8-4-18-7(16-8)2-1-3-15-18/h1-4H,5-6H2
InChIKeyISLWSWZXUYJPGI-UHFFFAOYSA-N
MW260.19 g/mol
LogP1.82
Rot. Bonds1

About 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine

2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 168861822) has the molecular formula C10H8F4N4 and a molecular weight of 260.19 g/mol. Its IUPAC name is 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID168861822
Molecular FormulaC10H8F4N4
Molecular Weight260.19 g/mol
Exact Mass260.07
IUPAC Name2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESFC1(F)CN(c2cn3ncccc3n2)CC1(F)F
InChIInChI=1S/C10H8F4N4/c11-9(12)5-17(6-10(9,13)14)8-4-18-7(16-8)2-1-3-15-18/h1-4H,5-6H2
InChIKeyISLWSWZXUYJPGI-UHFFFAOYSA-N
XLogP1.82
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine (CID 168861822) is 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine is FC1(F)CN(c2cn3ncccc3n2)CC1(F)F.
What is the InChIKey of 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is ISLWSWZXUYJPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4/c11-9(12)5-17(6-10(9,13)14)8-4-18-7(16-8)2-1-3-15-18/h1-4H,5-6H2.
What are the key properties of 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 260.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 168861822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).