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

C8H7F3N2O — CID 176600128

IUPAC1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(C)cc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c1-4-3-6(8(9,10)11)7(5(2)14)13-12-4/h3H,1-2H3
InChIKeyVSRVKIBLKWWAPT-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.01
Rot. Bonds1

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

1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone (PubChem CID 176600128) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone
PubChem CID176600128
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(C)cc1C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c1-4-3-6(8(9,10)11)7(5(2)14)13-12-4/h3H,1-2H3
InChIKeyVSRVKIBLKWWAPT-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
The IUPAC name of 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone (CID 176600128) is 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone is CC(=O)c1nnc(C)cc1C(F)(F)F.
What is the InChIKey of 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
The InChIKey is VSRVKIBLKWWAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-4-3-6(8(9,10)11)7(5(2)14)13-12-4/h3H,1-2H3.
What are the key properties of 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone?
1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone has a molecular weight of 204.15 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethanone is sourced from PubChem (CID 176600128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).