2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid

C14H21FO5 — CID 57113236

IUPAC2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
SMILESO=C1CC(OCCO)C=C1CCCCCC(F)C(=O)O
InChIInChI=1S/C14H21FO5/c15-12(14(18)19)5-3-1-2-4-10-8-11(9-13(10)17)20-7-6-16/h8,11-12,16H,1-7,9H2,(H,18,19)
InChIKeyNOJJUGWLLCLAHD-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.64
Rot. Bonds10

About 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid

2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid (PubChem CID 57113236) has the molecular formula C14H21FO5 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid.

Molecular Properties

Compound Name2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
PubChem CID57113236
Molecular FormulaC14H21FO5
Molecular Weight288.32 g/mol
Exact Mass288.14
IUPAC Name2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid
SMILESO=C1CC(OCCO)C=C1CCCCCC(F)C(=O)O
InChIInChI=1S/C14H21FO5/c15-12(14(18)19)5-3-1-2-4-10-8-11(9-13(10)17)20-7-6-16/h8,11-12,16H,1-7,9H2,(H,18,19)
InChIKeyNOJJUGWLLCLAHD-UHFFFAOYSA-N
XLogP1.64
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Corossolone
CID 4366126
Tonkinelin
CID 3083512
(2S)-4-[(13S)-13-hydroxy-14-[2-[(2S)-2-hydroxydodecoxy]ethoxy]tetradecyl]-2-methyl-2H-furan-5-one
CID 10099194
Cis-Corossolone
CID 11093061
cis-Reticulatacin-10-one
CID 75295078
Cohibin A
CID 131751147
Artemoin C
CID 129011026
Artemoin B
CID 129011027
Artemoin A
CID 129011028
Artemoin D
CID 131751462
(2S)-4-[(2R,13R)-2-fluoro-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 25154882
(2S)-4-[(2S,13R)-2-fluoro-13-hydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
CID 25154883

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The IUPAC name of 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid (CID 57113236) is 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid.
What is the SMILES notation for 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The canonical SMILES for 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid is O=C1CC(OCCO)C=C1CCCCCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
The InChIKey is NOJJUGWLLCLAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO5/c15-12(14(18)19)5-3-1-2-4-10-8-11(9-13(10)17)20-7-6-16/h8,11-12,16H,1-7,9H2,(H,18,19).
What are the key properties of 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid?
2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid has a molecular weight of 288.32 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-[3-(2-hydroxyethoxy)-5-oxocyclopenten-1-yl]heptanoic acid is sourced from PubChem (CID 57113236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).