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

C11H5ClF6N2O — CID 15263163

IUPAC4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)n2ccccc2n1
InChIInChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)19-7-3-1-2-4-20(6)7/h1-5H
InChIKeyUGSXYZKZXITDLQ-UHFFFAOYSA-N
MW330.62 g/mol
LogP3.25
Rot. Bonds3

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

4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one (PubChem CID 15263163) has the molecular formula C11H5ClF6N2O and a molecular weight of 330.62 g/mol. Its IUPAC name is 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one
PubChem CID15263163
Molecular FormulaC11H5ClF6N2O
Molecular Weight330.62 g/mol
Exact Mass330.00
IUPAC Name4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one
SMILESO=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)n2ccccc2n1
InChIInChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)19-7-3-1-2-4-20(6)7/h1-5H
InChIKeyUGSXYZKZXITDLQ-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 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one (CID 15263163) is 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one is O=c1cc(C(F)(F)C(F)(F)C(F)(F)Cl)n2ccccc2n1.
What is the InChIKey of 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is UGSXYZKZXITDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF6N2O/c12-11(17,18)10(15,16)9(13,14)6-5-8(21)19-7-3-1-2-4-20(6)7/h1-5H.
What are the key properties of 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one?
4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-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 4-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 15263163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).