5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate

C7H5F3N2O4S — CID 86614156

IUPAC5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2c(nn1)OCC2)C(F)(F)F
InChIInChI=1S/C7H5F3N2O4S/c8-7(9,10)17(13,14)16-5-3-4-1-2-15-6(4)12-11-5/h3H,1-2H2
InChIKeyJIHSGEXGIHZHBF-UHFFFAOYSA-N
MW270.19 g/mol
LogP0.64
Rot. Bonds2

About 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate

5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate (PubChem CID 86614156) has the molecular formula C7H5F3N2O4S and a molecular weight of 270.19 g/mol. Its IUPAC name is 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate.

Molecular Properties

Compound Name5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate
PubChem CID86614156
Molecular FormulaC7H5F3N2O4S
Molecular Weight270.19 g/mol
Exact Mass269.99
IUPAC Name5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2c(nn1)OCC2)C(F)(F)F
InChIInChI=1S/C7H5F3N2O4S/c8-7(9,10)17(13,14)16-5-3-4-1-2-15-6(4)12-11-5/h3H,1-2H2
InChIKeyJIHSGEXGIHZHBF-UHFFFAOYSA-N
XLogP0.64
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate?
The IUPAC name of 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate (CID 86614156) is 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate.
What is the SMILES notation for 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate?
The canonical SMILES for 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate is O=S(=O)(Oc1cc2c(nn1)OCC2)C(F)(F)F.
What is the InChIKey of 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate?
The InChIKey is JIHSGEXGIHZHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4S/c8-7(9,10)17(13,14)16-5-3-4-1-2-15-6(4)12-11-5/h3H,1-2H2.
What are the key properties of 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate?
5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate has a molecular weight of 270.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrofuro[2,3-c]pyridazin-3-yl trifluoromethanesulfonate is sourced from PubChem (CID 86614156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).