(4-fluoro-2-oxooxolan-3-yl) prop-2-enoate

C7H7FO4 — CID 70144144

IUPAC(4-fluoro-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OCC1F
InChIInChI=1S/C7H7FO4/c1-2-5(9)12-6-4(8)3-11-7(6)10/h2,4,6H,1,3H2
InChIKeyXQDKANIBJCDDJS-UHFFFAOYSA-N
MW174.13 g/mol
LogP-0.02
Rot. Bonds2

About (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate

(4-fluoro-2-oxooxolan-3-yl) prop-2-enoate (PubChem CID 70144144) has the molecular formula C7H7FO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate.

Molecular Properties

Compound Name(4-fluoro-2-oxooxolan-3-yl) prop-2-enoate
PubChem CID70144144
Molecular FormulaC7H7FO4
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Name(4-fluoro-2-oxooxolan-3-yl) prop-2-enoate
SMILESC=CC(=O)OC1C(=O)OCC1F
InChIInChI=1S/C7H7FO4/c1-2-5(9)12-6-4(8)3-11-7(6)10/h2,4,6H,1,3H2
InChIKeyXQDKANIBJCDDJS-UHFFFAOYSA-N
XLogP-0.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate?
The IUPAC name of (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate (CID 70144144) is (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate.
What is the SMILES notation for (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate?
The canonical SMILES for (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate is C=CC(=O)OC1C(=O)OCC1F.
What is the InChIKey of (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate?
The InChIKey is XQDKANIBJCDDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4/c1-2-5(9)12-6-4(8)3-11-7(6)10/h2,4,6H,1,3H2.
What are the key properties of (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate?
(4-fluoro-2-oxooxolan-3-yl) prop-2-enoate has a molecular weight of 174.13 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-oxooxolan-3-yl) prop-2-enoate is sourced from PubChem (CID 70144144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).