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

C13H17FO2 — CID 143472100

IUPAC5-(5-ethyl-2-fluorophenyl)pentanoic acid
SMILESCCc1ccc(F)c(CCCCC(=O)O)c1
InChIInChI=1S/C13H17FO2/c1-2-10-7-8-12(14)11(9-10)5-3-4-6-13(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyXUNWUSAOXWIIMR-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.19
Rot. Bonds6

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

5-(5-ethyl-2-fluorophenyl)pentanoic acid (PubChem CID 143472100) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-(5-ethyl-2-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name5-(5-ethyl-2-fluorophenyl)pentanoic acid
PubChem CID143472100
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Name5-(5-ethyl-2-fluorophenyl)pentanoic acid
SMILESCCc1ccc(F)c(CCCCC(=O)O)c1
InChIInChI=1S/C13H17FO2/c1-2-10-7-8-12(14)11(9-10)5-3-4-6-13(15)16/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyXUNWUSAOXWIIMR-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.19
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

4-[2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117325377
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
CID 117340908
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
1-(5-ethyl-2-fluorophenyl)propan-2-one
CID 117278354
5-(3-fluoro-4-methylphenyl)pentanoic acid
CID 169495010
3-[3-[(dimethylamino)methyl]-4-fluorophenyl]propanoic acid
CID 71215134
1-bromo-3-(5-ethyl-2-fluorophenyl)propan-2-one
CID 134616896
7-[2-fluoro-5-[1-(methylideneamino)propan-2-yl]phenyl]heptanoic acid
CID 143471703
6-[(5-ethyl-2-propylphenyl)methoxy]-6-oxohexanoic acid
CID 25114647
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
10-(2,5-dihydroxy-4-tetradecylphenyl)decanoic acid
CID 23471248

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-fluorophenyl)pentanoic acid?
The IUPAC name of 5-(5-ethyl-2-fluorophenyl)pentanoic acid (CID 143472100) is 5-(5-ethyl-2-fluorophenyl)pentanoic acid.
What is the SMILES notation for 5-(5-ethyl-2-fluorophenyl)pentanoic acid?
The canonical SMILES for 5-(5-ethyl-2-fluorophenyl)pentanoic acid is CCc1ccc(F)c(CCCCC(=O)O)c1.
What is the InChIKey of 5-(5-ethyl-2-fluorophenyl)pentanoic acid?
The InChIKey is XUNWUSAOXWIIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-2-10-7-8-12(14)11(9-10)5-3-4-6-13(15)16/h7-9H,2-6H2,1H3,(H,15,16).
What are the key properties of 5-(5-ethyl-2-fluorophenyl)pentanoic acid?
5-(5-ethyl-2-fluorophenyl)pentanoic acid has a molecular weight of 224.28 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-fluorophenyl)pentanoic acid is sourced from PubChem (CID 143472100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).