4-(2-fluorophenoxy)butanoic acid

C10H11FO3 — CID 6501000

IUPAC4-(2-fluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccccc1F
InChIInChI=1S/C10H11FO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyIDSIMWLXSYHZKA-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.07
Rot. Bonds5

About 4-(2-fluorophenoxy)butanoic acid

4-(2-fluorophenoxy)butanoic acid (PubChem CID 6501000) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-fluorophenoxy)butanoic acid
PubChem CID6501000
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-(2-fluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1ccccc1F
InChIInChI=1S/C10H11FO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyIDSIMWLXSYHZKA-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)butanoic acid?
The IUPAC name of 4-(2-fluorophenoxy)butanoic acid (CID 6501000) is 4-(2-fluorophenoxy)butanoic acid.
What is the SMILES notation for 4-(2-fluorophenoxy)butanoic acid?
The canonical SMILES for 4-(2-fluorophenoxy)butanoic acid is O=C(O)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)butanoic acid?
The InChIKey is IDSIMWLXSYHZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c11-8-4-1-2-5-9(8)14-7-3-6-10(12)13/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of 4-(2-fluorophenoxy)butanoic acid?
4-(2-fluorophenoxy)butanoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)butanoic acid is sourced from PubChem (CID 6501000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).