2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine

C12H12Cl2F2N4 — CID 157034377

IUPAC2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESCC1(C)CN(c2cc(Cl)nn3cc(Cl)nc23)CC1(F)F
InChIInChI=1S/C12H12Cl2F2N4/c1-11(2)5-19(6-12(11,15)16)7-3-8(13)18-20-4-9(14)17-10(7)20/h3-4H,5-6H2,1-2H3
InChIKeyNNKBGBUZDQRECO-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.52
Rot. Bonds1

About 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine

2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 157034377) has the molecular formula C12H12Cl2F2N4 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID157034377
Molecular FormulaC12H12Cl2F2N4
Molecular Weight321.16 g/mol
Exact Mass320.04
IUPAC Name2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESCC1(C)CN(c2cc(Cl)nn3cc(Cl)nc23)CC1(F)F
InChIInChI=1S/C12H12Cl2F2N4/c1-11(2)5-19(6-12(11,15)16)7-3-8(13)18-20-4-9(14)17-10(7)20/h3-4H,5-6H2,1-2H3
InChIKeyNNKBGBUZDQRECO-UHFFFAOYSA-N
XLogP3.52
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine (CID 157034377) is 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine is CC1(C)CN(c2cc(Cl)nn3cc(Cl)nc23)CC1(F)F.
What is the InChIKey of 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is NNKBGBUZDQRECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F2N4/c1-11(2)5-19(6-12(11,15)16)7-3-8(13)18-20-4-9(14)17-10(7)20/h3-4H,5-6H2,1-2H3.
What are the key properties of 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 321.16 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-8-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).