3-fluoro-5-octan-2-yl-1H-pyridin-4-one

C13H20FNO — CID 146507315

IUPAC3-fluoro-5-octan-2-yl-1H-pyridin-4-one
SMILESCCCCCCC(C)c1c[nH]cc(F)c1=O
InChIInChI=1S/C13H20FNO/c1-3-4-5-6-7-10(2)11-8-15-9-12(14)13(11)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyWFFGOPYTYJFYCW-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.59
Rot. Bonds6

About 3-fluoro-5-octan-2-yl-1H-pyridin-4-one

3-fluoro-5-octan-2-yl-1H-pyridin-4-one (PubChem CID 146507315) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-5-octan-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-octan-2-yl-1H-pyridin-4-one
PubChem CID146507315
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-fluoro-5-octan-2-yl-1H-pyridin-4-one
SMILESCCCCCCC(C)c1c[nH]cc(F)c1=O
InChIInChI=1S/C13H20FNO/c1-3-4-5-6-7-10(2)11-8-15-9-12(14)13(11)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyWFFGOPYTYJFYCW-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride
CID 70391888
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CID 100994732
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
2-(2,3-difluoro-6-heptan-2-ylphenyl)-N-ethylethanamine
CID 130285247
1-bromo-2-[(2R)-nonan-2-yl]benzene
CID 139715975
2,6-difluoro-4-octan-2-yloxybenzoic acid
CID 123753531
4-butyl-2,6-di(icosan-2-yl)phenol
CID 21499273
2,6-di(hexadecan-2-yl)-4-propylphenol
CID 21499301
4-[1-(3-oxo-1,2-dihydropyrazol-4-yl)octyl]-1,2-dihydropyrazol-3-one
CID 14390067
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
3-undecan-2-ylbenzene-1,2-diol
CID 139758320

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-octan-2-yl-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-octan-2-yl-1H-pyridin-4-one (CID 146507315) is 3-fluoro-5-octan-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-octan-2-yl-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-octan-2-yl-1H-pyridin-4-one is CCCCCCC(C)c1c[nH]cc(F)c1=O.
What is the InChIKey of 3-fluoro-5-octan-2-yl-1H-pyridin-4-one?
The InChIKey is WFFGOPYTYJFYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-5-6-7-10(2)11-8-15-9-12(14)13(11)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-fluoro-5-octan-2-yl-1H-pyridin-4-one?
3-fluoro-5-octan-2-yl-1H-pyridin-4-one has a molecular weight of 225.31 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-octan-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 146507315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).