3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine

C9H8Cl2F3N3 — CID 165128879

IUPAC3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine
SMILESFC(F)(F)C1CCN(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H8Cl2F3N3/c10-7-3-6(8(11)16-15-7)17-2-1-5(4-17)9(12,13)14/h3,5H,1-2,4H2
InChIKeyLGGJMLUYNPYOCY-UHFFFAOYSA-N
MW286.08 g/mol
LogP3.17
Rot. Bonds1

About 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine

3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine (PubChem CID 165128879) has the molecular formula C9H8Cl2F3N3 and a molecular weight of 286.08 g/mol. Its IUPAC name is 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine
PubChem CID165128879
Molecular FormulaC9H8Cl2F3N3
Molecular Weight286.08 g/mol
Exact Mass285.00
IUPAC Name3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine
SMILESFC(F)(F)C1CCN(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H8Cl2F3N3/c10-7-3-6(8(11)16-15-7)17-2-1-5(4-17)9(12,13)14/h3,5H,1-2,4H2
InChIKeyLGGJMLUYNPYOCY-UHFFFAOYSA-N
XLogP3.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine (CID 165128879) is 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine is FC(F)(F)C1CCN(c2cc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine?
The InChIKey is LGGJMLUYNPYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3N3/c10-7-3-6(8(11)16-15-7)17-2-1-5(4-17)9(12,13)14/h3,5H,1-2,4H2.
What are the key properties of 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine?
3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine has a molecular weight of 286.08 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine is sourced from PubChem (CID 165128879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).