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

C11H15F3N2O2 — CID 71910005

IUPAC2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CCCCCCO
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)9-5-6-10(18)16(15-9)7-3-1-2-4-8-17/h5-6,17H,1-4,7-8H2
InChIKeyILMTWMDVWZDYLM-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.81
Rot. Bonds6

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

2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 71910005) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID71910005
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1CCCCCCO
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)9-5-6-10(18)16(15-9)7-3-1-2-4-8-17/h5-6,17H,1-4,7-8H2
InChIKeyILMTWMDVWZDYLM-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one (CID 71910005) is 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1CCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is ILMTWMDVWZDYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)9-5-6-10(18)16(15-9)7-3-1-2-4-8-17/h5-6,17H,1-4,7-8H2.
What are the key properties of 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 264.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 71910005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).