2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one

C16H18F2N2O2 — CID 59400703

IUPAC2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one
SMILESCCCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O
InChIInChI=1S/C16H18F2N2O2/c1-3-6-12-15(21)14(11-8-5-4-7-10(11)2)16(22)20(19-12)9-13(17)18/h4-5,7-8,13,21H,3,6,9H2,1-2H3
InChIKeyIGWIIHZOQQUGFQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.14
Rot. Bonds5

About 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one

2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one (PubChem CID 59400703) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one
PubChem CID59400703
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one
SMILESCCCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O
InChIInChI=1S/C16H18F2N2O2/c1-3-6-12-15(21)14(11-8-5-4-7-10(11)2)16(22)20(19-12)9-13(17)18/h4-5,7-8,13,21H,3,6,9H2,1-2H3
InChIKeyIGWIIHZOQQUGFQ-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one (CID 59400703) is 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one is CCCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one?
The InChIKey is IGWIIHZOQQUGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-3-6-12-15(21)14(11-8-5-4-7-10(11)2)16(22)20(19-12)9-13(17)18/h4-5,7-8,13,21H,3,6,9H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one?
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one has a molecular weight of 308.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one is sourced from PubChem (CID 59400703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).