6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one

C10H11F3N2O — CID 171493141

IUPAC6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
SMILESCC1(C)Cc2n[nH]c(=O)c(C(F)(F)F)c2C1
InChIInChI=1S/C10H11F3N2O/c1-9(2)3-5-6(4-9)14-15-8(16)7(5)10(11,12)13/h3-4H2,1-2H3,(H,15,16)
InChIKeyXZDQFHLTHRFSDQ-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.91
Rot. Bonds

About 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one

6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one (PubChem CID 171493141) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
PubChem CID171493141
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one
SMILESCC1(C)Cc2n[nH]c(=O)c(C(F)(F)F)c2C1
InChIInChI=1S/C10H11F3N2O/c1-9(2)3-5-6(4-9)14-15-8(16)7(5)10(11,12)13/h3-4H2,1-2H3,(H,15,16)
InChIKeyXZDQFHLTHRFSDQ-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one (CID 171493141) is 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one is CC1(C)Cc2n[nH]c(=O)c(C(F)(F)F)c2C1.
What is the InChIKey of 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one?
The InChIKey is XZDQFHLTHRFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-9(2)3-5-6(4-9)14-15-8(16)7(5)10(11,12)13/h3-4H2,1-2H3,(H,15,16).
What are the key properties of 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one?
6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one has a molecular weight of 232.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-(trifluoromethyl)-5,7-dihydro-2H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 171493141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).