6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C8H9F3N2O — CID 142603797

IUPAC6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCc1ccc(=O)n(CC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-2-6-3-4-7(14)13(12-6)5-8(9,10)11/h3-4H,2,5H2,1H3
InChIKeyULEBXSUHVHBOLK-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.37
Rot. Bonds2

About 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 142603797) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID142603797
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCc1ccc(=O)n(CC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c1-2-6-3-4-7(14)13(12-6)5-8(9,10)11/h3-4H,2,5H2,1H3
InChIKeyULEBXSUHVHBOLK-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-Oxo-3-(trifluoromethyl)pyridazin-1-yl]butanenitrile
CID 84589526
N-cyclobutyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 132383259
2-(2-Fluoroethyl)-6-methylpyridazin-3-one
CID 59803334
2-(2,2-Difluoroethyl)-6-methylpyridazin-3-one
CID 59803335
6-Ethyl-2-(trifluoromethyl)pyridazin-3-one
CID 90165374
6-Propan-2-yl-2-(trifluoromethyl)pyridazin-3-one
CID 122547245
2-(Fluoromethyl)-6-methylpyridazin-3-one
CID 122579452
2-Methyl-6-(trifluoromethyl)pyridazin-3-one
CID 131085350
3-(5,5-difluorohept-1-en-2-yl)-1-ethyl-4H-diazepin-7-one
CID 156423870
6-(4,4-Difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one
CID 167253847
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
2-(2,2,2-Trifluoroethyl)-6-trimethylstannylpyridazin-3-one
CID 172272402

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 142603797) is 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CCc1ccc(=O)n(CC(F)(F)F)n1.
What is the InChIKey of 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is ULEBXSUHVHBOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-6-3-4-7(14)13(12-6)5-8(9,10)11/h3-4H,2,5H2,1H3.
What are the key properties of 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 206.17 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 142603797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).