[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol

C9H10F4N2O2 — CID 90119295

IUPAC[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
SMILESCc1cc(CO)nnc1OCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O2/c1-5-2-6(3-16)14-15-7(5)17-4-9(12,13)8(10)11/h2,8,16H,3-4H2,1H3
InChIKeyZJEWFYZNTVAGIW-UHFFFAOYSA-N
MW254.18 g/mol
LogP1.56
Rot. Bonds5

About [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol

[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol (PubChem CID 90119295) has the molecular formula C9H10F4N2O2 and a molecular weight of 254.18 g/mol. Its IUPAC name is [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
PubChem CID90119295
Molecular FormulaC9H10F4N2O2
Molecular Weight254.18 g/mol
Exact Mass254.07
IUPAC Name[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
SMILESCc1cc(CO)nnc1OCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O2/c1-5-2-6(3-16)14-15-7(5)17-4-9(12,13)8(10)11/h2,8,16H,3-4H2,1H3
InChIKeyZJEWFYZNTVAGIW-UHFFFAOYSA-N
XLogP1.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
The IUPAC name of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol (CID 90119295) is [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol is Cc1cc(CO)nnc1OCC(F)(F)C(F)F.
What is the InChIKey of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
The InChIKey is ZJEWFYZNTVAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2/c1-5-2-6(3-16)14-15-7(5)17-4-9(12,13)8(10)11/h2,8,16H,3-4H2,1H3.
What are the key properties of [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol has a molecular weight of 254.18 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 90119295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).