3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one

C10H9FN2O4 — CID 66636804

IUPAC3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H9FN2O4/c11-9-5-8(13(15)16)2-1-7(9)6-12-3-4-17-10(12)14/h1-2,5H,3-4,6H2
InChIKeyCYQRFXYEDJIKDW-UHFFFAOYSA-N
MW240.19 g/mol
LogP1.69
Rot. Bonds3

About 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one

3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 66636804) has the molecular formula C10H9FN2O4 and a molecular weight of 240.19 g/mol. Its IUPAC name is 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID66636804
Molecular FormulaC10H9FN2O4
Molecular Weight240.19 g/mol
Exact Mass240.05
IUPAC Name3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H9FN2O4/c11-9-5-8(13(15)16)2-1-7(9)6-12-3-4-17-10(12)14/h1-2,5H,3-4,6H2
InChIKeyCYQRFXYEDJIKDW-UHFFFAOYSA-N
XLogP1.69
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (CID 66636804) is 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CYQRFXYEDJIKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4/c11-9-5-8(13(15)16)2-1-7(9)6-12-3-4-17-10(12)14/h1-2,5H,3-4,6H2.
What are the key properties of 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 240.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66636804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).