2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one

C11H11F3N2O — CID 99819152

IUPAC2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1[C@H]1C=CCCC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-6-7-10(17)16(15-9)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2/t8-/m0/s1
InChIKeyLMIPHYKKKHJZFL-QMMMGPOBSA-N
MW244.22 g/mol
LogP2.54
Rot. Bonds1

About 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one

2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 99819152) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID99819152
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
SMILESO=c1ccc(C(F)(F)F)nn1[C@H]1C=CCCC1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-6-7-10(17)16(15-9)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2/t8-/m0/s1
InChIKeyLMIPHYKKKHJZFL-QMMMGPOBSA-N
XLogP2.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
6-(4,4-Difluorocyclohexen-1-yl)-2-ethylpyridazin-3-one
CID 167253847
2-(4,4-Difluorocyclohexyl)pyridazin-3-one
CID 175957551
6-Tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 176849388
2-methyl-6-(2-(trifluoromethyl)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 92092426
2-[(1S)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 99819153
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3(2H)-one
CID 121184558
2-Cyclohex-2-en-1-yl-6-(trifluoromethyl)pyridazin-3-one
CID 121514883
2-[2-(1-Methylpiperidin-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 121589365
2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 125142475
2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 125142476
2-Cyclopropyl-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 126857486

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one (CID 99819152) is 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one is O=c1ccc(C(F)(F)F)nn1[C@H]1C=CCCC1.
What is the InChIKey of 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is LMIPHYKKKHJZFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9-6-7-10(17)16(15-9)8-4-2-1-3-5-8/h2,4,6-8H,1,3,5H2/t8-/m0/s1.
What are the key properties of 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one?
2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 244.22 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 99819152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).