(5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate

C8H9FO4 — CID 90997737

IUPAC(5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(F)OC1=O
InChIInChI=1S/C8H9FO4/c1-4(2)7(10)12-5-3-6(9)13-8(5)11/h5-6H,1,3H2,2H3
InChIKeyGBPUXNRBVGHZFM-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.72
Rot. Bonds2

About (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate

(5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 90997737) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
PubChem CID90997737
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name(5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(F)OC1=O
InChIInChI=1S/C8H9FO4/c1-4(2)7(10)12-5-3-6(9)13-8(5)11/h5-6H,1,3H2,2H3
InChIKeyGBPUXNRBVGHZFM-UHFFFAOYSA-N
XLogP0.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate (CID 90997737) is (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(F)OC1=O.
What is the InChIKey of (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is GBPUXNRBVGHZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c1-4(2)7(10)12-5-3-6(9)13-8(5)11/h5-6H,1,3H2,2H3.
What are the key properties of (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
(5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 188.15 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 90997737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).