2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide

C9H4F6N4O — CID 59496136

IUPAC2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESO=C(Nc1cn2nc(C(F)(F)F)ccc2n1)C(F)(F)F
InChIInChI=1S/C9H4F6N4O/c10-8(11,12)4-1-2-6-16-5(3-19(6)18-4)17-7(20)9(13,14)15/h1-3H,(H,17,20)
InChIKeyGRRPRLHBOBDLLM-UHFFFAOYSA-N
MW298.15 g/mol
LogP2.25
Rot. Bonds1

About 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide

2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 59496136) has the molecular formula C9H4F6N4O and a molecular weight of 298.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID59496136
Molecular FormulaC9H4F6N4O
Molecular Weight298.15 g/mol
Exact Mass298.03
IUPAC Name2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESO=C(Nc1cn2nc(C(F)(F)F)ccc2n1)C(F)(F)F
InChIInChI=1S/C9H4F6N4O/c10-8(11,12)4-1-2-6-16-5(3-19(6)18-4)17-7(20)9(13,14)15/h1-3H,(H,17,20)
InChIKeyGRRPRLHBOBDLLM-UHFFFAOYSA-N
XLogP2.25
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 59496136) is 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide is O=C(Nc1cn2nc(C(F)(F)F)ccc2n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is GRRPRLHBOBDLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N4O/c10-8(11,12)4-1-2-6-16-5(3-19(6)18-4)17-7(20)9(13,14)15/h1-3H,(H,17,20).
What are the key properties of 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide?
2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 298.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]acetamide is sourced from PubChem (CID 59496136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).