5-(4-fluoroindol-1-yl)pentanoic acid

C13H14FNO2 — CID 82792502

IUPAC5-(4-fluoroindol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ccc2c(F)cccc21
InChIInChI=1S/C13H14FNO2/c14-11-4-3-5-12-10(11)7-9-15(12)8-2-1-6-13(16)17/h3-5,7,9H,1-2,6,8H2,(H,16,17)
InChIKeyXEKPEPGKQPQFHO-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.04
Rot. Bonds5

About 5-(4-fluoroindol-1-yl)pentanoic acid

5-(4-fluoroindol-1-yl)pentanoic acid (PubChem CID 82792502) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(4-fluoroindol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-fluoroindol-1-yl)pentanoic acid
PubChem CID82792502
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name5-(4-fluoroindol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1ccc2c(F)cccc21
InChIInChI=1S/C13H14FNO2/c14-11-4-3-5-12-10(11)7-9-15(12)8-2-1-6-13(16)17/h3-5,7,9H,1-2,6,8H2,(H,16,17)
InChIKeyXEKPEPGKQPQFHO-UHFFFAOYSA-N
XLogP3.04
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901
4-(4-methoxyindol-1-yl)butanoic acid
CID 83162861
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
4-fluoro-1-(4,4,4-trifluorobutyl)indole
CID 82792819
4-fluoro-1-(3-phenoxypropyl)indole
CID 82792007
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591
(Z)-2-ethyl-4-(4-fluoroindol-1-yl)but-2-enoic acid
CID 82791576
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
4-fluoro-1-[2-(trifluoromethoxy)ethyl]indole
CID 82793770
N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
CID 82794493
3-(4-fluoroindol-1-yl)-N-propylpropan-1-amine
CID 82791789
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroindol-1-yl)pentanoic acid?
The IUPAC name of 5-(4-fluoroindol-1-yl)pentanoic acid (CID 82792502) is 5-(4-fluoroindol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-fluoroindol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-fluoroindol-1-yl)pentanoic acid is O=C(O)CCCCn1ccc2c(F)cccc21.
What is the InChIKey of 5-(4-fluoroindol-1-yl)pentanoic acid?
The InChIKey is XEKPEPGKQPQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-11-4-3-5-12-10(11)7-9-15(12)8-2-1-6-13(16)17/h3-5,7,9H,1-2,6,8H2,(H,16,17).
What are the key properties of 5-(4-fluoroindol-1-yl)pentanoic acid?
5-(4-fluoroindol-1-yl)pentanoic acid has a molecular weight of 235.26 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroindol-1-yl)pentanoic acid is sourced from PubChem (CID 82792502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).