6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

C16H11F5N4 — CID 87111602

IUPAC6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFc1cccc(C2N(c3ccc4nccn4n3)CC(F)(F)C2(F)F)c1
InChIInChI=1S/C16H11F5N4/c17-11-3-1-2-10(8-11)14-16(20,21)15(18,19)9-24(14)13-5-4-12-22-6-7-25(12)23-13/h1-8,14H,9H2
InChIKeyPIZQVOBHGYRWTQ-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.70
Rot. Bonds2

About 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine

6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 87111602) has the molecular formula C16H11F5N4 and a molecular weight of 354.28 g/mol. Its IUPAC name is 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID87111602
Molecular FormulaC16H11F5N4
Molecular Weight354.28 g/mol
Exact Mass354.09
IUPAC Name6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
SMILESFc1cccc(C2N(c3ccc4nccn4n3)CC(F)(F)C2(F)F)c1
InChIInChI=1S/C16H11F5N4/c17-11-3-1-2-10(8-11)14-16(20,21)15(18,19)9-24(14)13-5-4-12-22-6-7-25(12)23-13/h1-8,14H,9H2
InChIKeyPIZQVOBHGYRWTQ-UHFFFAOYSA-N
XLogP3.70
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.70
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 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine (CID 87111602) is 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is Fc1cccc(C2N(c3ccc4nccn4n3)CC(F)(F)C2(F)F)c1.
What is the InChIKey of 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is PIZQVOBHGYRWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N4/c17-11-3-1-2-10(8-11)14-16(20,21)15(18,19)9-24(14)13-5-4-12-22-6-7-25(12)23-13/h1-8,14H,9H2.
What are the key properties of 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine?
6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 354.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3,4,4-tetrafluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 87111602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).