5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one

C17H20FNO — CID 154956081

IUPAC5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one
SMILESCCCC(C)c1ccc(Cn2cc(F)ccc2=O)cc1
InChIInChI=1S/C17H20FNO/c1-3-4-13(2)15-7-5-14(6-8-15)11-19-12-16(18)9-10-17(19)20/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyDQYDQLQZKNRSPR-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.94
Rot. Bonds5

About 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one

5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one (PubChem CID 154956081) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one
PubChem CID154956081
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one
SMILESCCCC(C)c1ccc(Cn2cc(F)ccc2=O)cc1
InChIInChI=1S/C17H20FNO/c1-3-4-13(2)15-7-5-14(6-8-15)11-19-12-16(18)9-10-17(19)20/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyDQYDQLQZKNRSPR-UHFFFAOYSA-N
XLogP3.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one (CID 154956081) is 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one is CCCC(C)c1ccc(Cn2cc(F)ccc2=O)cc1.
What is the InChIKey of 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one?
The InChIKey is DQYDQLQZKNRSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-4-13(2)15-7-5-14(6-8-15)11-19-12-16(18)9-10-17(19)20/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one?
5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one has a molecular weight of 273.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-pentan-2-ylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 154956081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).