3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine

C8H9Cl2FN2 — CID 14349829

IUPAC3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine
SMILESCC(C)(CF)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2FN2/c1-8(2,4-11)5-3-6(9)12-13-7(5)10/h3H,4H2,1-2H3
InChIKeyGLQISJHUKGVNCL-UHFFFAOYSA-N
MW223.08 g/mol
LogP3.03
Rot. Bonds2

About 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine

3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine (PubChem CID 14349829) has the molecular formula C8H9Cl2FN2 and a molecular weight of 223.08 g/mol. Its IUPAC name is 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine
PubChem CID14349829
Molecular FormulaC8H9Cl2FN2
Molecular Weight223.08 g/mol
Exact Mass222.01
IUPAC Name3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine
SMILESCC(C)(CF)c1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2FN2/c1-8(2,4-11)5-3-6(9)12-13-7(5)10/h3H,4H2,1-2H3
InChIKeyGLQISJHUKGVNCL-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine (CID 14349829) is 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine is CC(C)(CF)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine?
The InChIKey is GLQISJHUKGVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2/c1-8(2,4-11)5-3-6(9)12-13-7(5)10/h3H,4H2,1-2H3.
What are the key properties of 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine?
3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine has a molecular weight of 223.08 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(1-fluoro-2-methylpropan-2-yl)pyridazine is sourced from PubChem (CID 14349829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).