3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine

C8H9F3N2O2S — CID 165345493

IUPAC3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine
SMILESO=S(=O)(CCC(F)(F)F)Cc1cccnn1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)3-5-16(14,15)6-7-2-1-4-12-13-7/h1-2,4H,3,5-6H2
InChIKeyJJPMRWIJZIJFLD-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.34
Rot. Bonds4

About 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine

3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine (PubChem CID 165345493) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine
PubChem CID165345493
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine
SMILESO=S(=O)(CCC(F)(F)F)Cc1cccnn1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)3-5-16(14,15)6-7-2-1-4-12-13-7/h1-2,4H,3,5-6H2
InChIKeyJJPMRWIJZIJFLD-UHFFFAOYSA-N
XLogP1.34
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine (CID 165345493) is 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine is O=S(=O)(CCC(F)(F)F)Cc1cccnn1.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine?
The InChIKey is JJPMRWIJZIJFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)3-5-16(14,15)6-7-2-1-4-12-13-7/h1-2,4H,3,5-6H2.
What are the key properties of 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine?
3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine has a molecular weight of 254.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfonylmethyl)pyridazine is sourced from PubChem (CID 165345493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).