2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one

C9H9F5N2O2 — CID 99844147

IUPAC2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F5N2O2/c10-8(11,9(12,13)14)6-18-5-4-16-7(17)2-1-3-15-16/h1-3H,4-6H2
InChIKeyQTOGOCZEOFRJBD-UHFFFAOYSA-N
MW272.17 g/mol
LogP1.46
Rot. Bonds5

About 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one

2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one (PubChem CID 99844147) has the molecular formula C9H9F5N2O2 and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one
PubChem CID99844147
Molecular FormulaC9H9F5N2O2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H9F5N2O2/c10-8(11,9(12,13)14)6-18-5-4-16-7(17)2-1-3-15-16/h1-3H,4-6H2
InChIKeyQTOGOCZEOFRJBD-UHFFFAOYSA-N
XLogP1.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one (CID 99844147) is 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one is O=c1cccnn1CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one?
The InChIKey is QTOGOCZEOFRJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O2/c10-8(11,9(12,13)14)6-18-5-4-16-7(17)2-1-3-15-16/h1-3H,4-6H2.
What are the key properties of 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one?
2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one has a molecular weight of 272.17 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]pyridazin-3-one is sourced from PubChem (CID 99844147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).