5-(4-fluorophenyl)-5-oxopentanoic acid

C11H11FO3 — CID 689096

IUPAC5-(4-fluorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
InChIKeyZBQROUOOMAMCQW-UHFFFAOYSA-N
MW210.20 g/mol
LogP2.26
Rot. Bonds5

About 5-(4-fluorophenyl)-5-oxopentanoic acid

5-(4-fluorophenyl)-5-oxopentanoic acid (PubChem CID 689096) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-oxopentanoic acid
PubChem CID689096
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name5-(4-fluorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)
InChIKeyZBQROUOOMAMCQW-UHFFFAOYSA-N
XLogP2.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-fluorophenyl)-5-oxopentanoic acid (CID 689096) is 5-(4-fluorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)-5-oxopentanoic acid is O=C(O)CCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-5-oxopentanoic acid?
The InChIKey is ZBQROUOOMAMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)-5-oxopentanoic acid?
5-(4-fluorophenyl)-5-oxopentanoic acid has a molecular weight of 210.20 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 689096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).