1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone

C8H8F2N2O — CID 176600111

IUPAC1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(C)cc1C(F)F
InChIInChI=1S/C8H8F2N2O/c1-4-3-6(8(9)10)7(5(2)13)12-11-4/h3,8H,1-2H3
InChIKeyFRLHUDRDSYBIQL-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.93
Rot. Bonds2

About 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone

1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone (PubChem CID 176600111) has the molecular formula C8H8F2N2O and a molecular weight of 186.16 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone
PubChem CID176600111
Molecular FormulaC8H8F2N2O
Molecular Weight186.16 g/mol
Exact Mass186.06
IUPAC Name1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone
SMILESCC(=O)c1nnc(C)cc1C(F)F
InChIInChI=1S/C8H8F2N2O/c1-4-3-6(8(9)10)7(5(2)13)12-11-4/h3,8H,1-2H3
InChIKeyFRLHUDRDSYBIQL-UHFFFAOYSA-N
XLogP1.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone?
The IUPAC name of 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone (CID 176600111) is 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone is CC(=O)c1nnc(C)cc1C(F)F.
What is the InChIKey of 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone?
The InChIKey is FRLHUDRDSYBIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O/c1-4-3-6(8(9)10)7(5(2)13)12-11-4/h3,8H,1-2H3.
What are the key properties of 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone?
1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone has a molecular weight of 186.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)-6-methylpyridazin-3-yl]ethanone is sourced from PubChem (CID 176600111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).