3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one

C7H8FNO3 — CID 141333748

IUPAC3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=CCF)N1CCOC1=O
InChIInChI=1S/C7H8FNO3/c8-3-1-2-6(10)9-4-5-12-7(9)11/h1-2H,3-5H2
InChIKeySNYDURNVWRXBMY-UHFFFAOYSA-N
MW173.14 g/mol
LogP0.49
Rot. Bonds2

About 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one

3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 141333748) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID141333748
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
SMILESO=C(C=CCF)N1CCOC1=O
InChIInChI=1S/C7H8FNO3/c8-3-1-2-6(10)9-4-5-12-7(9)11/h1-2H,3-5H2
InChIKeySNYDURNVWRXBMY-UHFFFAOYSA-N
XLogP0.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one (CID 141333748) is 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one is O=C(C=CCF)N1CCOC1=O.
What is the InChIKey of 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is SNYDURNVWRXBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c8-3-1-2-6(10)9-4-5-12-7(9)11/h1-2H,3-5H2.
What are the key properties of 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one?
3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 173.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 141333748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).