5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one

C14H22FNO — CID 138525148

IUPAC5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one
SMILESCCCCCCC(C)c1cc(F)cn(C)c1=O
InChIInChI=1S/C14H22FNO/c1-4-5-6-7-8-11(2)13-9-12(15)10-16(3)14(13)17/h9-11H,4-8H2,1-3H3
InChIKeyKLMVFHQKVLWDNE-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.60
Rot. Bonds6

About 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one

5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one (PubChem CID 138525148) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one
PubChem CID138525148
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one
SMILESCCCCCCC(C)c1cc(F)cn(C)c1=O
InChIInChI=1S/C14H22FNO/c1-4-5-6-7-8-11(2)13-9-12(15)10-16(3)14(13)17/h9-11H,4-8H2,1-3H3
InChIKeyKLMVFHQKVLWDNE-UHFFFAOYSA-N
XLogP3.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one?
The IUPAC name of 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one (CID 138525148) is 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one is CCCCCCC(C)c1cc(F)cn(C)c1=O.
What is the InChIKey of 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one?
The InChIKey is KLMVFHQKVLWDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-5-6-7-8-11(2)13-9-12(15)10-16(3)14(13)17/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one?
5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one has a molecular weight of 239.33 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-octan-2-ylpyridin-2-one is sourced from PubChem (CID 138525148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).