3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one

C18H11F3N2O2 — CID 2745060

IUPAC3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESO=C(c1ccccc1)c1nn(-c2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)13-6-8-14(9-7-13)23-11-10-15(24)16(22-23)17(25)12-4-2-1-3-5-12/h1-11H
InChIKeyGSXCOGAWVBOFPW-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.48
Rot. Bonds3

About 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one

3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 2745060) has the molecular formula C18H11F3N2O2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID2745060
Molecular FormulaC18H11F3N2O2
Molecular Weight344.29 g/mol
Exact Mass344.08
IUPAC Name3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESO=C(c1ccccc1)c1nn(-c2ccc(C(F)(F)F)cc2)ccc1=O
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)13-6-8-14(9-7-13)23-11-10-15(24)16(22-23)17(25)12-4-2-1-3-5-12/h1-11H
InChIKeyGSXCOGAWVBOFPW-UHFFFAOYSA-N
XLogP3.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one (CID 2745060) is 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one is O=C(c1ccccc1)c1nn(-c2ccc(C(F)(F)F)cc2)ccc1=O.
What is the InChIKey of 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is GSXCOGAWVBOFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2/c19-18(20,21)13-6-8-14(9-7-13)23-11-10-15(24)16(22-23)17(25)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one?
3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 344.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 2745060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).