7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid

C20H37FO4 — CID 18594644

IUPAC7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid
SMILESCCCCC(F)[C@@H](O)CC[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H37FO4/c1-2-3-9-17(21)19(23)14-12-15-11-13-18(22)16(15)8-6-4-5-7-10-20(24)25/h15-19,22-23H,2-14H2,1H3,(H,24,25)/t15-,16-,17?,18-,19+/m1/s1
InChIKeyYCFUDOSKPXWSIE-SCIMBWJRSA-N
MW360.51 g/mol
LogP4.47
Rot. Bonds14

About 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid

7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid (PubChem CID 18594644) has the molecular formula C20H37FO4 and a molecular weight of 360.51 g/mol. Its IUPAC name is 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid
PubChem CID18594644
Molecular FormulaC20H37FO4
Molecular Weight360.51 g/mol
Exact Mass360.27
IUPAC Name7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid
SMILESCCCCC(F)[C@@H](O)CC[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H37FO4/c1-2-3-9-17(21)19(23)14-12-15-11-13-18(22)16(15)8-6-4-5-7-10-20(24)25/h15-19,22-23H,2-14H2,1H3,(H,24,25)/t15-,16-,17?,18-,19+/m1/s1
InChIKeyYCFUDOSKPXWSIE-SCIMBWJRSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid (CID 18594644) is 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid is CCCCC(F)[C@@H](O)CC[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O.
What is the InChIKey of 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid?
The InChIKey is YCFUDOSKPXWSIE-SCIMBWJRSA-N. The full InChI is InChI=1S/C20H37FO4/c1-2-3-9-17(21)19(23)14-12-15-11-13-18(22)16(15)8-6-4-5-7-10-20(24)25/h15-19,22-23H,2-14H2,1H3,(H,24,25)/t15-,16-,17?,18-,19+/m1/s1.
What are the key properties of 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid?
7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]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 7-[(1R,2R,5R)-2-[(3S)-4-fluoro-3-hydroxyoctyl]-5-hydroxycyclopentyl]heptanoic acid is sourced from PubChem (CID 18594644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).