(2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate

C8H9FO4 — CID 69477689

IUPAC(2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)OC1CCOC1=O
InChIInChI=1S/C8H9FO4/c1-5(4-9)7(10)13-6-2-3-12-8(6)11/h6H,1-4H2
InChIKeyGTMMXESSBIDNHI-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.37
Rot. Bonds3

About (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate

(2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate (PubChem CID 69477689) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate
PubChem CID69477689
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name(2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)OC1CCOC1=O
InChIInChI=1S/C8H9FO4/c1-5(4-9)7(10)13-6-2-3-12-8(6)11/h6H,1-4H2
InChIKeyGTMMXESSBIDNHI-UHFFFAOYSA-N
XLogP0.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-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 (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate (CID 69477689) is (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate is C=C(CF)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate?
The InChIKey is GTMMXESSBIDNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c1-5(4-9)7(10)13-6-2-3-12-8(6)11/h6H,1-4H2.
What are the key properties of (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate?
(2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate has a molecular weight of 188.15 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 69477689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).