1-(5-fluoro-3-pyridinyl)undecan-1-one

C16H24FNO — CID 105091475

IUPAC1-(5-fluoro-3-pyridinyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cncc(F)c1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-6-7-8-9-10-16(19)14-11-15(17)13-18-12-14/h11-13H,2-10H2,1H3
InChIKeyDDBWOOKTJBYCTQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.93
Rot. Bonds10

About 1-(5-fluoro-3-pyridinyl)undecan-1-one

1-(5-fluoro-3-pyridinyl)undecan-1-one (PubChem CID 105091475) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)undecan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)undecan-1-one
PubChem CID105091475
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(5-fluoro-3-pyridinyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cncc(F)c1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-6-7-8-9-10-16(19)14-11-15(17)13-18-12-14/h11-13H,2-10H2,1H3
InChIKeyDDBWOOKTJBYCTQ-UHFFFAOYSA-N
XLogP4.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-3-pyridinyl)undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
1-(5-methyl-3-pyridinyl)pentan-1-one
CID 115374044
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-(3-chloro-5-fluorophenyl)octan-1-one
CID 146005683
1-pyridin-3-ylundecan-1-one
CID 19756112
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 104786801
1-(5-propan-2-yl-3-pyridinyl)pentan-1-one
CID 159567241
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-pyridin-4-ylhexadecan-1-one
CID 102412701

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)undecan-1-one?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)undecan-1-one (CID 105091475) is 1-(5-fluoro-3-pyridinyl)undecan-1-one.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)undecan-1-one?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)undecan-1-one is CCCCCCCCCCC(=O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)undecan-1-one?
The InChIKey is DDBWOOKTJBYCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-3-4-5-6-7-8-9-10-16(19)14-11-15(17)13-18-12-14/h11-13H,2-10H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)undecan-1-one?
1-(5-fluoro-3-pyridinyl)undecan-1-one has a molecular weight of 265.37 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)undecan-1-one is sourced from PubChem (CID 105091475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).