4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione

C13H10FNO4 — CID 61327626

IUPAC4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1c1ccc(C#CCO)cc1F
InChIInChI=1S/C13H10FNO4/c14-10-6-9(2-1-5-16)3-4-11(10)15-12(17)7-19-8-13(15)18/h3-4,6,16H,5,7-8H2
InChIKeyOCODJUIMKWQOKQ-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.06
Rot. Bonds1

About 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione

4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione (PubChem CID 61327626) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione
PubChem CID61327626
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1c1ccc(C#CCO)cc1F
InChIInChI=1S/C13H10FNO4/c14-10-6-9(2-1-5-16)3-4-11(10)15-12(17)7-19-8-13(15)18/h3-4,6,16H,5,7-8H2
InChIKeyOCODJUIMKWQOKQ-UHFFFAOYSA-N
XLogP0.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione (CID 61327626) is 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione is O=C1COCC(=O)N1c1ccc(C#CCO)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione?
The InChIKey is OCODJUIMKWQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-10-6-9(2-1-5-16)3-4-11(10)15-12(17)7-19-8-13(15)18/h3-4,6,16H,5,7-8H2.
What are the key properties of 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione?
4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione has a molecular weight of 263.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]morpholine-3,5-dione is sourced from PubChem (CID 61327626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).