3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one

C11H9ClFNO2 — CID 10586207

IUPAC3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1COC(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFNO2/c1-2-7-6-16-11(15)14(7)8-3-4-10(13)9(12)5-8/h2-5,7H,1,6H2
InChIKeyZGQORNGUORYHKK-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.99
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one

3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 10586207) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID10586207
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=CC1COC(=O)N1c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFNO2/c1-2-7-6-16-11(15)14(7)8-3-4-10(13)9(12)5-8/h2-5,7H,1,6H2
InChIKeyZGQORNGUORYHKK-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one (CID 10586207) is 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one is C=CC1COC(=O)N1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is ZGQORNGUORYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-2-7-6-16-11(15)14(7)8-3-4-10(13)9(12)5-8/h2-5,7H,1,6H2.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 241.65 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10586207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).