4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid

C15H18FNO5 — CID 119216664

IUPAC4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H18FNO5/c16-11-3-5-12(6-4-11)22-8-1-2-14(18)17-7-9-21-10-13(17)15(19)20/h3-6,13H,1-2,7-10H2,(H,19,20)
InChIKeyQHCWJOSTELXXSX-UHFFFAOYSA-N
MW311.31 g/mol
LogP1.30
Rot. Bonds6

About 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid

4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid (PubChem CID 119216664) has the molecular formula C15H18FNO5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
PubChem CID119216664
Molecular FormulaC15H18FNO5
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CCCOc1ccc(F)cc1
InChIInChI=1S/C15H18FNO5/c16-11-3-5-12(6-4-11)22-8-1-2-14(18)17-7-9-21-10-13(17)15(19)20/h3-6,13H,1-2,7-10H2,(H,19,20)
InChIKeyQHCWJOSTELXXSX-UHFFFAOYSA-N
XLogP1.30
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid (CID 119216664) is 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid?
The InChIKey is QHCWJOSTELXXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO5/c16-11-3-5-12(6-4-11)22-8-1-2-14(18)17-7-9-21-10-13(17)15(19)20/h3-6,13H,1-2,7-10H2,(H,19,20).
What are the key properties of 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid?
4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)butanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).