7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid

C24H37FO2 — CID 129084210

IUPAC7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid
SMILESCCCCCCc1ccc(C2CCC(F)[C@@H]2CCCCCCC(=O)O)cc1
InChIInChI=1S/C24H37FO2/c1-2-3-4-7-10-19-13-15-20(16-14-19)21-17-18-23(25)22(21)11-8-5-6-9-12-24(26)27/h13-16,21-23H,2-12,17-18H2,1H3,(H,26,27)/t21?,22-,23?/m1/s1
InChIKeyFRYJIBSCFKCVJJ-OOMBGRCJSA-N
MW376.56 g/mol
LogP7.07
Rot. Bonds13

About 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid

7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid (PubChem CID 129084210) has the molecular formula C24H37FO2 and a molecular weight of 376.56 g/mol. Its IUPAC name is 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid
PubChem CID129084210
Molecular FormulaC24H37FO2
Molecular Weight376.56 g/mol
Exact Mass376.28
IUPAC Name7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid
SMILESCCCCCCc1ccc(C2CCC(F)[C@@H]2CCCCCCC(=O)O)cc1
InChIInChI=1S/C24H37FO2/c1-2-3-4-7-10-19-13-15-20(16-14-19)21-17-18-23(25)22(21)11-8-5-6-9-12-24(26)27/h13-16,21-23H,2-12,17-18H2,1H3,(H,26,27)/t21?,22-,23?/m1/s1
InChIKeyFRYJIBSCFKCVJJ-OOMBGRCJSA-N
XLogP7.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 57.07
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

7-[2-hydroxy-5-[4-(1-hydroxyhexyl)phenyl]cyclopentyl]heptanoic acid
CID 24758344
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
methyl 7-[(2S)-2-(4-hexylphenyl)-5-oxocyclopentyl]heptanoate
CID 129084205
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535
2-(4-carboxybutyl)-3-undecylcyclopropane-1-carboxylic acid
CID 70491497
8-(2-heptylcyclopropen-1-yl)octanoic acid
CID 68593336
7-(2-octylcyclopropen-1-yl)heptanoic acid
CID 10416
calcium;hydride;(Z)-octadec-9-enoic acid;4-octadecylphenol
CID 174935211
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid (CID 129084210) is 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid is CCCCCCc1ccc(C2CCC(F)[C@@H]2CCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid?
The InChIKey is FRYJIBSCFKCVJJ-OOMBGRCJSA-N. The full InChI is InChI=1S/C24H37FO2/c1-2-3-4-7-10-19-13-15-20(16-14-19)21-17-18-23(25)22(21)11-8-5-6-9-12-24(26)27/h13-16,21-23H,2-12,17-18H2,1H3,(H,26,27)/t21?,22-,23?/m1/s1.
What are the key properties of 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid?
7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid has a molecular weight of 376.56 g/mol, XLogP of 7.07, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-2-fluoro-5-(4-hexylphenyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 129084210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).