5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one

C6H9F2NO2 — CID 67261780

IUPAC5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCF)CN1CF
InChIInChI=1S/C6H9F2NO2/c7-2-1-5-3-9(4-8)6(10)11-5/h5H,1-4H2
InChIKeyOEWUZVHTUCKCLP-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.09
Rot. Bonds3

About 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one

5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67261780) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID67261780
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCF)CN1CF
InChIInChI=1S/C6H9F2NO2/c7-2-1-5-3-9(4-8)6(10)11-5/h5H,1-4H2
InChIKeyOEWUZVHTUCKCLP-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one (CID 67261780) is 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one is O=C1OC(CCF)CN1CF.
What is the InChIKey of 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is OEWUZVHTUCKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-2-1-5-3-9(4-8)6(10)11-5/h5H,1-4H2.
What are the key properties of 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one?
5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 165.14 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67261780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).