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

C11H5F7N2O — CID 10710351

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2ccccn12
InChIInChI=1S/C11H5F7N2O/c12-9(13,10(14,15)11(16,17)18)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H
InChIKeyUWNGERPPLIUOAC-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.98
Rot. Bonds2

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

2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10710351) has the molecular formula C11H5F7N2O and a molecular weight of 314.16 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10710351
Molecular FormulaC11H5F7N2O
Molecular Weight314.16 g/mol
Exact Mass314.03
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2ccccn12
InChIInChI=1S/C11H5F7N2O/c12-9(13,10(14,15)11(16,17)18)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H
InChIKeyUWNGERPPLIUOAC-UHFFFAOYSA-N
XLogP2.98
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.98
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-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one (CID 10710351) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)F)nc2ccccn12.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UWNGERPPLIUOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F7N2O/c12-9(13,10(14,15)11(16,17)18)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 314.16 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10710351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).