5-ethoxy-2-(2-fluorophenyl)pentanoic acid

C13H17FO3 — CID 79439803

IUPAC5-ethoxy-2-(2-fluorophenyl)pentanoic acid
SMILESCCOCCCC(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H17FO3/c1-2-17-9-5-7-11(13(15)16)10-6-3-4-8-12(10)14/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,15,16)
InChIKeyGSOJTVGWGICNMN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.81
Rot. Bonds7

About 5-ethoxy-2-(2-fluorophenyl)pentanoic acid

5-ethoxy-2-(2-fluorophenyl)pentanoic acid (PubChem CID 79439803) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-ethoxy-2-(2-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-(2-fluorophenyl)pentanoic acid
PubChem CID79439803
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name5-ethoxy-2-(2-fluorophenyl)pentanoic acid
SMILESCCOCCCC(C(=O)O)c1ccccc1F
InChIInChI=1S/C13H17FO3/c1-2-17-9-5-7-11(13(15)16)10-6-3-4-8-12(10)14/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,15,16)
InChIKeyGSOJTVGWGICNMN-UHFFFAOYSA-N
XLogP2.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.81
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

2-(2-fluorophenyl)heptanoic acid
CID 79439623
2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
CID 82136618
2-(2-fluorophenyl)-5-methylhexanoic acid
CID 79439797
2-(2-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 79438900
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
2-(2-fluorophenyl)-3-methylsulfanylpropanoic acid
CID 117244463
(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
2-(2-fluorophenyl)butanedioic acid
CID 50990542
2-(2-amino-3-fluorophenyl)heptanoic acid
CID 106987341
2-(2-amino-3-fluorophenyl)decanoic acid
CID 106820197

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2-fluorophenyl)pentanoic acid?
The IUPAC name of 5-ethoxy-2-(2-fluorophenyl)pentanoic acid (CID 79439803) is 5-ethoxy-2-(2-fluorophenyl)pentanoic acid.
What is the SMILES notation for 5-ethoxy-2-(2-fluorophenyl)pentanoic acid?
The canonical SMILES for 5-ethoxy-2-(2-fluorophenyl)pentanoic acid is CCOCCCC(C(=O)O)c1ccccc1F.
What is the InChIKey of 5-ethoxy-2-(2-fluorophenyl)pentanoic acid?
The InChIKey is GSOJTVGWGICNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-2-17-9-5-7-11(13(15)16)10-6-3-4-8-12(10)14/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,15,16).
What are the key properties of 5-ethoxy-2-(2-fluorophenyl)pentanoic acid?
5-ethoxy-2-(2-fluorophenyl)pentanoic acid has a molecular weight of 240.27 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2-fluorophenyl)pentanoic acid is sourced from PubChem (CID 79439803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).