1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone

C13H9F3N2O — CID 105093000

IUPAC1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1ccnnc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)11-3-1-9(2-4-11)7-12(19)10-5-6-17-18-8-10/h1-6,8H,7H2
InChIKeyIMKBERHYKMHORP-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.92
Rot. Bonds3

About 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone

1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 105093000) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID105093000
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1ccnnc1
InChIInChI=1S/C13H9F3N2O/c14-13(15,16)11-3-1-9(2-4-11)7-12(19)10-5-6-17-18-8-10/h1-6,8H,7H2
InChIKeyIMKBERHYKMHORP-UHFFFAOYSA-N
XLogP2.92
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridazin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095554
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
1-(3-amino-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116550965
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1H-pyrrole-2-carboxylic acid
CID 62116453
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
2-(2-methylphenyl)-1-pyridazin-4-ylethanone
CID 105079516
3-oxo-3-pyridazin-4-ylpropanenitrile
CID 131087393

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 105093000) is 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)c1ccnnc1.
What is the InChIKey of 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is IMKBERHYKMHORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-13(15,16)11-3-1-9(2-4-11)7-12(19)10-5-6-17-18-8-10/h1-6,8H,7H2.
What are the key properties of 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 266.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-4-yl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 105093000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).