1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone

C13H8F4N2O — CID 125456636

IUPAC1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H8F4N2O/c1-7(20)12-10(13(15,16)17)6-11(18-19-12)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyFUPJIJRFTQTVLM-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.50
Rot. Bonds2

About 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone

1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone (PubChem CID 125456636) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone
PubChem CID125456636
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC Name1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H8F4N2O/c1-7(20)12-10(13(15,16)17)6-11(18-19-12)8-2-4-9(14)5-3-8/h2-6H,1H3
InChIKeyFUPJIJRFTQTVLM-UHFFFAOYSA-N
XLogP3.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
The IUPAC name of 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone (CID 125456636) is 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone is CC(=O)c1nnc(-c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
The InChIKey is FUPJIJRFTQTVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c1-7(20)12-10(13(15,16)17)6-11(18-19-12)8-2-4-9(14)5-3-8/h2-6H,1H3.
What are the key properties of 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone has a molecular weight of 284.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-4-(trifluoromethyl)pyridazin-3-yl]ethanone is sourced from PubChem (CID 125456636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).