3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H14F2N2O — CID 137463241

IUPAC3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(F)cc1-c1ccc(C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C17H14F2N2O/c1-10-2-4-12(18)9-14(10)13-5-3-11(8-15(13)19)16-6-7-17(22)21-20-16/h2-5,8-9H,6-7H2,1H3,(H,21,22)
InChIKeyREJUWQIONJTBCV-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.55
Rot. Bonds2

About 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137463241) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137463241
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(F)cc1-c1ccc(C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C17H14F2N2O/c1-10-2-4-12(18)9-14(10)13-5-3-11(8-15(13)19)16-6-7-17(22)21-20-16/h2-5,8-9H,6-7H2,1H3,(H,21,22)
InChIKeyREJUWQIONJTBCV-UHFFFAOYSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137463241) is 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc(F)cc1-c1ccc(C2=NNC(=O)CC2)cc1F.
What is the InChIKey of 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is REJUWQIONJTBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c1-10-2-4-12(18)9-14(10)13-5-3-11(8-15(13)19)16-6-7-17(22)21-20-16/h2-5,8-9H,6-7H2,1H3,(H,21,22).
What are the key properties of 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 300.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137463241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).