3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C14H14F2N2O3 — CID 137378341

IUPAC3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=O)COc1ccc(C2=NNC(=O)CC2C)c(F)c1F
InChIInChI=1S/C14H14F2N2O3/c1-7-5-11(20)17-18-14(7)9-3-4-10(13(16)12(9)15)21-6-8(2)19/h3-4,7H,5-6H2,1-2H3,(H,17,20)
InChIKeyDATWZXBNJJQZNJ-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.79
Rot. Bonds4

About 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137378341) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137378341
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC(=O)COc1ccc(C2=NNC(=O)CC2C)c(F)c1F
InChIInChI=1S/C14H14F2N2O3/c1-7-5-11(20)17-18-14(7)9-3-4-10(13(16)12(9)15)21-6-8(2)19/h3-4,7H,5-6H2,1-2H3,(H,17,20)
InChIKeyDATWZXBNJJQZNJ-UHFFFAOYSA-N
XLogP1.79
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 137378341) is 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC(=O)COc1ccc(C2=NNC(=O)CC2C)c(F)c1F.
What is the InChIKey of 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is DATWZXBNJJQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-7-5-11(20)17-18-14(7)9-3-4-10(13(16)12(9)15)21-6-8(2)19/h3-4,7H,5-6H2,1-2H3,(H,17,20).
What are the key properties of 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 296.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-4-(2-oxopropoxy)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137378341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).