6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione

C12H9FN2O4 — CID 43210249

IUPAC6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3ccc(F)cc32)O1
InChIInChI=1S/C12H9FN2O4/c13-6-1-2-8-9(3-6)15(11(17)10(8)16)5-7-4-14-12(18)19-7/h1-3,7H,4-5H2,(H,14,18)
InChIKeyWFWKGJJXRIYRPS-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.46
Rot. Bonds2

About 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione

6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (PubChem CID 43210249) has the molecular formula C12H9FN2O4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
PubChem CID43210249
Molecular FormulaC12H9FN2O4
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
SMILESO=C1NCC(CN2C(=O)C(=O)c3ccc(F)cc32)O1
InChIInChI=1S/C12H9FN2O4/c13-6-1-2-8-9(3-6)15(11(17)10(8)16)5-7-4-14-12(18)19-7/h1-3,7H,4-5H2,(H,14,18)
InChIKeyWFWKGJJXRIYRPS-UHFFFAOYSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione (CID 43210249) is 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is O=C1NCC(CN2C(=O)C(=O)c3ccc(F)cc32)O1.
What is the InChIKey of 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
The InChIKey is WFWKGJJXRIYRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4/c13-6-1-2-8-9(3-6)15(11(17)10(8)16)5-7-4-14-12(18)19-7/h1-3,7H,4-5H2,(H,14,18).
What are the key properties of 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione?
6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione has a molecular weight of 264.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 43210249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).