2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one

C10H10FNO3 — CID 46183606

IUPAC2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(F)cc2N(O)C1=O
InChIInChI=1S/C10H10FNO3/c1-2-8-10(13)12(14)7-5-6(11)3-4-9(7)15-8/h3-5,8,14H,2H2,1H3
InChIKeyGCHHILUFDJMNNE-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.72
Rot. Bonds1

About 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one

2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one (PubChem CID 46183606) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one
PubChem CID46183606
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(F)cc2N(O)C1=O
InChIInChI=1S/C10H10FNO3/c1-2-8-10(13)12(14)7-5-6(11)3-4-9(7)15-8/h3-5,8,14H,2H2,1H3
InChIKeyGCHHILUFDJMNNE-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one (CID 46183606) is 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one is CCC1Oc2ccc(F)cc2N(O)C1=O.
What is the InChIKey of 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one?
The InChIKey is GCHHILUFDJMNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-8-10(13)12(14)7-5-6(11)3-4-9(7)15-8/h3-5,8,14H,2H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one?
2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one has a molecular weight of 211.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-4-hydroxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 46183606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).