3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one

C14H16F2N2O3 — CID 18623396

IUPAC3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(=O)NN=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C14H16F2N2O3/c1-3-8-7-12(19)17-18-13(8)9-4-5-10(21-14(15)16)11(6-9)20-2/h4-6,8,14H,3,7H2,1-2H3,(H,17,19)
InChIKeyKQIMJOZOYZVFGR-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.55
Rot. Bonds5

About 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 18623396) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID18623396
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1CC(=O)NN=C1c1ccc(OC(F)F)c(OC)c1
InChIInChI=1S/C14H16F2N2O3/c1-3-8-7-12(19)17-18-13(8)9-4-5-10(21-14(15)16)11(6-9)20-2/h4-6,8,14H,3,7H2,1-2H3,(H,17,19)
InChIKeyKQIMJOZOYZVFGR-UHFFFAOYSA-N
XLogP2.55
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one (CID 18623396) is 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one is CCC1CC(=O)NN=C1c1ccc(OC(F)F)c(OC)c1.
What is the InChIKey of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KQIMJOZOYZVFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-3-8-7-12(19)17-18-13(8)9-4-5-10(21-14(15)16)11(6-9)20-2/h4-6,8,14H,3,7H2,1-2H3,(H,17,19).
What are the key properties of 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 298.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 18623396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).