5-(4-(Trifluoromethyl)phenyl)pyridazin-3(2H)-one

HCID 57950387

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=c1cc(-c2ccc(C(F)(F)F)cc2)cn[nH]1
InChIKey: XKTPUDPIKVKANM-UHFFFAOYSA-N
Molecular formula: C11H7F3N2O
Average molar mass: 240.18 g/mol

Names & identifiers

Preferred name: 5-(4-(Trifluoromethyl)phenyl)pyridazin-3(2H)-one
IUPAC: 4-[4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Names & synonyms

5-(4-(Trifluoromethyl)phenyl)pyridazin-3(2H)-one697739-27-8SCHEMBL1722753TQP1099DA-034715-[4-trifluoromethylphenyl]pyridazin-3(2H)-one

Database identifiers

PubChem CID: 57950387

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 365

Related reactions

8 records

New reaction record

HRID 169579As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 930718As reactantuspto-grants-2016_03

HRID 1020634As reactantuspto-grants-2014_05

HRID 1239906As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2059875As productuspto-grants-2012_10

HRID 2059876As reactantuspto-grants-2012_10

HRID 2117325As productuspto-grants-2008_10

HRID 2345909As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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