2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C9H9F3N2O — CID 126857420

IUPAC2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC(F)(F)F)CCC2
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)4-6-2-1-3-7(6)13-14/h4H,1-3,5H2
InChIKeyZCVAVQSCNJAJLD-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.29
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126857420) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126857420
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC(F)(F)F)CCC2
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)4-6-2-1-3-7(6)13-14/h4H,1-3,5H2
InChIKeyZCVAVQSCNJAJLD-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]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-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126857420) is 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC(F)(F)F)CCC2.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is ZCVAVQSCNJAJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)5-14-8(15)4-6-2-1-3-7(6)13-14/h4H,1-3,5H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 218.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126857420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).