2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one

C6H8FNO2 — CID 139381365

IUPAC2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCOC1
InChIInChI=1S/C6H8FNO2/c1-5(7)6(9)8-2-3-10-4-8/h1-4H2
InChIKeyQQIRKNMSLHTOPV-UHFFFAOYSA-N
MW145.13 g/mol
LogP0.29
Rot. Bonds1

About 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one

2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one (PubChem CID 139381365) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
PubChem CID139381365
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCOC1
InChIInChI=1S/C6H8FNO2/c1-5(7)6(9)8-2-3-10-4-8/h1-4H2
InChIKeyQQIRKNMSLHTOPV-UHFFFAOYSA-N
XLogP0.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The IUPAC name of 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one (CID 139381365) is 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one is C=C(F)C(=O)N1CCOC1.
What is the InChIKey of 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
The InChIKey is QQIRKNMSLHTOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2/c1-5(7)6(9)8-2-3-10-4-8/h1-4H2.
What are the key properties of 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one?
2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one has a molecular weight of 145.13 g/mol, XLogP of 0.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-oxazolidin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 139381365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).