2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one

C6H3F5N2O — CID 87553831

IUPAC2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one
SMILESO=c1cccnn1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F5N2O/c7-5(8,9)6(10,11)13-4(14)2-1-3-12-13/h1-3H
InChIKeyKMQAEAFDFWMFDX-UHFFFAOYSA-N
MW214.09 g/mol
LogP1.35
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one

2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one (PubChem CID 87553831) has the molecular formula C6H3F5N2O and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one
PubChem CID87553831
Molecular FormulaC6H3F5N2O
Molecular Weight214.09 g/mol
Exact Mass214.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one
SMILESO=c1cccnn1C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F5N2O/c7-5(8,9)6(10,11)13-4(14)2-1-3-12-13/h1-3H
InChIKeyKMQAEAFDFWMFDX-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one (CID 87553831) is 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one is O=c1cccnn1C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one?
The InChIKey is KMQAEAFDFWMFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O/c7-5(8,9)6(10,11)13-4(14)2-1-3-12-13/h1-3H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one?
2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one has a molecular weight of 214.09 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)pyridazin-3-one is sourced from PubChem (CID 87553831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).