5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one

C10H10FNO3 — CID 71413182

IUPAC5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one
SMILESO=C1NC(O)C(F)(c2ccccc2)CO1
InChIInChI=1S/C10H10FNO3/c11-10(7-4-2-1-3-5-7)6-15-9(14)12-8(10)13/h1-5,8,13H,6H2,(H,12,14)
InChIKeyGDYHFOKVSRABRH-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.91
Rot. Bonds1

About 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one

5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one (PubChem CID 71413182) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one
PubChem CID71413182
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one
SMILESO=C1NC(O)C(F)(c2ccccc2)CO1
InChIInChI=1S/C10H10FNO3/c11-10(7-4-2-1-3-5-7)6-15-9(14)12-8(10)13/h1-5,8,13H,6H2,(H,12,14)
InChIKeyGDYHFOKVSRABRH-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one (CID 71413182) is 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one is O=C1NC(O)C(F)(c2ccccc2)CO1.
What is the InChIKey of 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
The InChIKey is GDYHFOKVSRABRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-10(7-4-2-1-3-5-7)6-15-9(14)12-8(10)13/h1-5,8,13H,6H2,(H,12,14).
What are the key properties of 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one?
5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one has a molecular weight of 211.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydroxy-5-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 71413182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).