3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine

C9H8Cl2F2N2 — CID 147740993

IUPAC3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine
SMILESFC1(F)CCC(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H8Cl2F2N2/c10-7-3-6(8(11)15-14-7)5-1-2-9(12,13)4-5/h3,5H,1-2,4H2
InChIKeyHAHUFMPASBZZTJ-UHFFFAOYSA-N
MW253.08 g/mol
LogP3.69
Rot. Bonds1

About 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine

3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine (PubChem CID 147740993) has the molecular formula C9H8Cl2F2N2 and a molecular weight of 253.08 g/mol. Its IUPAC name is 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine
PubChem CID147740993
Molecular FormulaC9H8Cl2F2N2
Molecular Weight253.08 g/mol
Exact Mass252.00
IUPAC Name3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine
SMILESFC1(F)CCC(c2cc(Cl)nnc2Cl)C1
InChIInChI=1S/C9H8Cl2F2N2/c10-7-3-6(8(11)15-14-7)5-1-2-9(12,13)4-5/h3,5H,1-2,4H2
InChIKeyHAHUFMPASBZZTJ-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 53.69
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-(3,3-difluorocyclopentyl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine (CID 147740993) is 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine is FC1(F)CCC(c2cc(Cl)nnc2Cl)C1.
What is the InChIKey of 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine?
The InChIKey is HAHUFMPASBZZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F2N2/c10-7-3-6(8(11)15-14-7)5-1-2-9(12,13)4-5/h3,5H,1-2,4H2.
What are the key properties of 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine?
3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine has a molecular weight of 253.08 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(3,3-difluorocyclopentyl)pyridazine is sourced from PubChem (CID 147740993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).