3-(2,2-difluoroethylsulfanyl)pyridazine

C6H6F2N2S — CID 126988474

IUPAC3-(2,2-difluoroethylsulfanyl)pyridazine
SMILESFC(F)CSc1cccnn1
InChIInChI=1S/C6H6F2N2S/c7-5(8)4-11-6-2-1-3-9-10-6/h1-3,5H,4H2
InChIKeyVLBJLPBXMGLUOU-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.83
Rot. Bonds3

About 3-(2,2-difluoroethylsulfanyl)pyridazine

3-(2,2-difluoroethylsulfanyl)pyridazine (PubChem CID 126988474) has the molecular formula C6H6F2N2S and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfanyl)pyridazine
PubChem CID126988474
Molecular FormulaC6H6F2N2S
Molecular Weight176.19 g/mol
Exact Mass176.02
IUPAC Name3-(2,2-difluoroethylsulfanyl)pyridazine
SMILESFC(F)CSc1cccnn1
InChIInChI=1S/C6H6F2N2S/c7-5(8)4-11-6-2-1-3-9-10-6/h1-3,5H,4H2
InChIKeyVLBJLPBXMGLUOU-UHFFFAOYSA-N
XLogP1.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylsulfanyl)pyridazine?
The IUPAC name of 3-(2,2-difluoroethylsulfanyl)pyridazine (CID 126988474) is 3-(2,2-difluoroethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfanyl)pyridazine?
The canonical SMILES for 3-(2,2-difluoroethylsulfanyl)pyridazine is FC(F)CSc1cccnn1.
What is the InChIKey of 3-(2,2-difluoroethylsulfanyl)pyridazine?
The InChIKey is VLBJLPBXMGLUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2S/c7-5(8)4-11-6-2-1-3-9-10-6/h1-3,5H,4H2.
What are the key properties of 3-(2,2-difluoroethylsulfanyl)pyridazine?
3-(2,2-difluoroethylsulfanyl)pyridazine has a molecular weight of 176.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfanyl)pyridazine is sourced from PubChem (CID 126988474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).