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

C8H9F3N2O — CID 178099390

IUPAC4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCc1ccnn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O/c1-2-6-3-4-12-13(7(6)14)5-8(9,10)11/h3-4H,2,5H2,1H3
InChIKeySGVFJYVNVYOKNO-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.37
Rot. Bonds2

About 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 178099390) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID178099390
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCc1ccnn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O/c1-2-6-3-4-12-13(7(6)14)5-8(9,10)11/h3-4H,2,5H2,1H3
InChIKeySGVFJYVNVYOKNO-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 178099390) is 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CCc1ccnn(CC(F)(F)F)c1=O.
What is the InChIKey of 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is SGVFJYVNVYOKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-6-3-4-12-13(7(6)14)5-8(9,10)11/h3-4H,2,5H2,1H3.
What are the key properties of 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-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 4-ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 178099390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).