2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one

C13H5F11N2O — CID 10621694

IUPAC2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2ccccn12
InChIInChI=1S/C13H5F11N2O/c14-9(15,6-5-8(27)26-4-2-1-3-7(26)25-6)10(16,17)11(18,19)12(20,21)13(22,23)24/h1-5H
InChIKeyOQGQIXMLVUOWLJ-UHFFFAOYSA-N
MW414.17 g/mol
LogP4.25
Rot. Bonds4

About 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10621694) has the molecular formula C13H5F11N2O and a molecular weight of 414.17 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10621694
Molecular FormulaC13H5F11N2O
Molecular Weight414.17 g/mol
Exact Mass414.02
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2ccccn12
InChIInChI=1S/C13H5F11N2O/c14-9(15,6-5-8(27)26-4-2-1-3-7(26)25-6)10(16,17)11(18,19)12(20,21)13(22,23)24/h1-5H
InChIKeyOQGQIXMLVUOWLJ-UHFFFAOYSA-N
XLogP4.25
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.17
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one (CID 10621694) is 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OQGQIXMLVUOWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F11N2O/c14-9(15,6-5-8(27)26-4-2-1-3-7(26)25-6)10(16,17)11(18,19)12(20,21)13(22,23)24/h1-5H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one?
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 414.17 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10621694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).