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

C11H5ClF6N2O — CID 10592573

IUPAC2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccccn12
InChIInChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H
InChIKeyPLXUAOUTYKEDQO-UHFFFAOYSA-N
MW330.62 g/mol
LogP3.25
Rot. Bonds3

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

2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10592573) has the molecular formula C11H5ClF6N2O and a molecular weight of 330.62 g/mol. Its IUPAC name is 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10592573
Molecular FormulaC11H5ClF6N2O
Molecular Weight330.62 g/mol
Exact Mass330.00
IUPAC Name2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccccn12
InChIInChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H
InChIKeyPLXUAOUTYKEDQO-UHFFFAOYSA-N
XLogP3.25
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one (CID 10592573) is 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)nc2ccccn12.
What is the InChIKey of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PLXUAOUTYKEDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)20-4-2-1-3-7(20)19-6/h1-5H.
What are the key properties of 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one?
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 330.62 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10592573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).