2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid

C20H37FO4 — CID 18595014

IUPAC2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid
SMILESCCCCCC(O)CC[C@H]1CC[C@H](O)[C@@H]1CCCCCC(F)C(=O)O
InChIInChI=1S/C20H37FO4/c1-2-3-5-8-16(22)13-11-15-12-14-19(23)17(15)9-6-4-7-10-18(21)20(24)25/h15-19,22-23H,2-14H2,1H3,(H,24,25)/t15-,16?,17+,18?,19-/m0/s1
InChIKeyXTPRMGIOTLOBES-UVSIREBESA-N
MW360.51 g/mol
LogP4.47
Rot. Bonds14

About 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid

2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid (PubChem CID 18595014) has the molecular formula C20H37FO4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid
PubChem CID18595014
Molecular FormulaC20H37FO4
Molecular Weight360.51 g/mol
Exact Mass360.27
IUPAC Name2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid
SMILESCCCCCC(O)CC[C@H]1CC[C@H](O)[C@@H]1CCCCCC(F)C(=O)O
InChIInChI=1S/C20H37FO4/c1-2-3-5-8-16(22)13-11-15-12-14-19(23)17(15)9-6-4-7-10-18(21)20(24)25/h15-19,22-23H,2-14H2,1H3,(H,24,25)/t15-,16?,17+,18?,19-/m0/s1
InChIKeyXTPRMGIOTLOBES-UVSIREBESA-N
XLogP4.47
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid?
The IUPAC name of 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid (CID 18595014) is 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid is CCCCCC(O)CC[C@H]1CC[C@H](O)[C@@H]1CCCCCC(F)C(=O)O.
What is the InChIKey of 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid?
The InChIKey is XTPRMGIOTLOBES-UVSIREBESA-N. The full InChI is InChI=1S/C20H37FO4/c1-2-3-5-8-16(22)13-11-15-12-14-19(23)17(15)9-6-4-7-10-18(21)20(24)25/h15-19,22-23H,2-14H2,1H3,(H,24,25)/t15-,16?,17+,18?,19-/m0/s1.
What are the key properties of 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid?
2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid has a molecular weight of 360.51 g/mol, XLogP of 4.47, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-[(1R,2S,5S)-2-hydroxy-5-(3-hydroxyoctyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 18595014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).