5-(4-fluorophenoxy)-2-oxopentanoic acid

C11H11FO4 — CID 57302572

IUPAC5-(4-fluorophenoxy)-2-oxopentanoic acid
SMILESO=C(O)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C11H11FO4/c12-8-3-5-9(6-4-8)16-7-1-2-10(13)11(14)15/h3-6H,1-2,7H2,(H,14,15)
InChIKeyFANXHXWNGQXGTM-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.64
Rot. Bonds6

About 5-(4-fluorophenoxy)-2-oxopentanoic acid

5-(4-fluorophenoxy)-2-oxopentanoic acid (PubChem CID 57302572) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-2-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-2-oxopentanoic acid
PubChem CID57302572
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name5-(4-fluorophenoxy)-2-oxopentanoic acid
SMILESO=C(O)C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C11H11FO4/c12-8-3-5-9(6-4-8)16-7-1-2-10(13)11(14)15/h3-6H,1-2,7H2,(H,14,15)
InChIKeyFANXHXWNGQXGTM-UHFFFAOYSA-N
XLogP1.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenoxy)butanamide
CID 43244704
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
4-(4-fluorophenoxy)butanethioamide
CID 24702572
1-(4-fluorophenoxy)-6-hydroxyhexane-2,3-dione
CID 69126322
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187
(2S)-2-[4-(4-fluorophenoxy)butanoylamino]-3-hydroxypropanoic acid
CID 61153383
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
CID 60724668

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenoxy)-2-oxopentanoic acid?
The IUPAC name of 5-(4-fluorophenoxy)-2-oxopentanoic acid (CID 57302572) is 5-(4-fluorophenoxy)-2-oxopentanoic acid.
What is the SMILES notation for 5-(4-fluorophenoxy)-2-oxopentanoic acid?
The canonical SMILES for 5-(4-fluorophenoxy)-2-oxopentanoic acid is O=C(O)C(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenoxy)-2-oxopentanoic acid?
The InChIKey is FANXHXWNGQXGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c12-8-3-5-9(6-4-8)16-7-1-2-10(13)11(14)15/h3-6H,1-2,7H2,(H,14,15).
What are the key properties of 5-(4-fluorophenoxy)-2-oxopentanoic acid?
5-(4-fluorophenoxy)-2-oxopentanoic acid has a molecular weight of 226.20 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenoxy)-2-oxopentanoic acid is sourced from PubChem (CID 57302572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).