3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine

C8H9Cl2FN2 — CID 88671537

IUPAC3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine
SMILESCC(CF)Cc1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2FN2/c1-5(4-11)2-6-3-7(9)12-13-8(6)10/h3,5H,2,4H2,1H3
InChIKeyHPGBWCUQTBDJBN-UHFFFAOYSA-N
MW223.08 g/mol
LogP2.93
Rot. Bonds3

About 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine

3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine (PubChem CID 88671537) has the molecular formula C8H9Cl2FN2 and a molecular weight of 223.08 g/mol. Its IUPAC name is 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine
PubChem CID88671537
Molecular FormulaC8H9Cl2FN2
Molecular Weight223.08 g/mol
Exact Mass222.01
IUPAC Name3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine
SMILESCC(CF)Cc1cc(Cl)nnc1Cl
InChIInChI=1S/C8H9Cl2FN2/c1-5(4-11)2-6-3-7(9)12-13-8(6)10/h3,5H,2,4H2,1H3
InChIKeyHPGBWCUQTBDJBN-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 52.93
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-(3-fluoro-2-methylpropyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine (CID 88671537) is 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine is CC(CF)Cc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine?
The InChIKey is HPGBWCUQTBDJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2/c1-5(4-11)2-6-3-7(9)12-13-8(6)10/h3,5H,2,4H2,1H3.
What are the key properties of 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine?
3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine has a molecular weight of 223.08 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(3-fluoro-2-methylpropyl)pyridazine is sourced from PubChem (CID 88671537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).