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

C9H11F3N2O2 — CID 75432332

IUPAC2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESCOCCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O2/c1-16-6-2-5-14-8(15)4-3-7(13-14)9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyCWVUMRBNFZFQGB-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.30
Rot. Bonds4

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

2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 75432332) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one
PubChem CID75432332
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one
SMILESCOCCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O2/c1-16-6-2-5-14-8(15)4-3-7(13-14)9(10,11)12/h3-4H,2,5-6H2,1H3
InChIKeyCWVUMRBNFZFQGB-UHFFFAOYSA-N
XLogP1.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
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-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one (CID 75432332) is 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one is COCCCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is CWVUMRBNFZFQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-16-6-2-5-14-8(15)4-3-7(13-14)9(10,11)12/h3-4H,2,5-6H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one?
2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 236.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 75432332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).