6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

C18H12ClF3N2O — CID 8698943

IUPAC6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O/c19-15-7-3-13(4-8-15)16-9-10-17(25)24(23-16)11-12-1-5-14(6-2-12)18(20,21)22/h1-10H,11H2
InChIKeyJSRCSMOVKOAJOG-UHFFFAOYSA-N
MW364.75 g/mol
LogP4.63
Rot. Bonds3

About 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one

6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (PubChem CID 8698943) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
PubChem CID8698943
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC Name6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O/c19-15-7-3-13(4-8-15)16-9-10-17(25)24(23-16)11-12-1-5-14(6-2-12)18(20,21)22/h1-10H,11H2
InChIKeyJSRCSMOVKOAJOG-UHFFFAOYSA-N
XLogP4.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one (CID 8698943) is 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is O=c1ccc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
The InChIKey is JSRCSMOVKOAJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c19-15-7-3-13(4-8-15)16-9-10-17(25)24(23-16)11-12-1-5-14(6-2-12)18(20,21)22/h1-10H,11H2.
What are the key properties of 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one has a molecular weight of 364.75 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 8698943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).