2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one

C11H13F3N2O2 — CID 126857491

IUPAC2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CCCCC1O
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-5-6-10(18)16(15-9)7-3-1-2-4-8(7)17/h5-8,17H,1-4H2
InChIKeyJBEUMUGBOTVQGM-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.74
Rot. Bonds1

About 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one

2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 126857491) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID126857491
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1C1CCCCC1O
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-5-6-10(18)16(15-9)7-3-1-2-4-8(7)17/h5-8,17H,1-4H2
InChIKeyJBEUMUGBOTVQGM-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one (CID 126857491) is 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1C1CCCCC1O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is JBEUMUGBOTVQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)9-5-6-10(18)16(15-9)7-3-1-2-4-8(7)17/h5-8,17H,1-4H2.
What are the key properties of 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 262.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 126857491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).