4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C10H13F3N2O3 — CID 141026635

IUPAC4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCC(C)(O)COc1ccnn(CC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O3/c1-9(2,17)6-18-7-3-4-14-15(8(7)16)5-10(11,12)13/h3-4,17H,5-6H2,1-2H3
InChIKeyHWMRJCZYFDRHFW-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.96
Rot. Bonds4

About 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 141026635) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID141026635
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCC(C)(O)COc1ccnn(CC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O3/c1-9(2,17)6-18-7-3-4-14-15(8(7)16)5-10(11,12)13/h3-4,17H,5-6H2,1-2H3
InChIKeyHWMRJCZYFDRHFW-UHFFFAOYSA-N
XLogP0.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 141026635) is 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CC(C)(O)COc1ccnn(CC(F)(F)F)c1=O.
What is the InChIKey of 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is HWMRJCZYFDRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-9(2,17)6-18-7-3-4-14-15(8(7)16)5-10(11,12)13/h3-4,17H,5-6H2,1-2H3.
What are the key properties of 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 266.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropoxy)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 141026635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).