(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate

C7H7FO4 — CID 58662878

IUPAC(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC1CCOC1=O
InChIInChI=1S/C7H7FO4/c1-4(8)6(9)12-5-2-3-11-7(5)10/h5H,1-3H2
InChIKeyYRSNTNVQKAXQEJ-UHFFFAOYSA-N
MW174.13 g/mol
LogP0.33
Rot. Bonds2

About (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate

(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate (PubChem CID 58662878) has the molecular formula C7H7FO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate
PubChem CID58662878
Molecular FormulaC7H7FO4
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Name(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC1CCOC1=O
InChIInChI=1S/C7H7FO4/c1-4(8)6(9)12-5-2-3-11-7(5)10/h5H,1-3H2
InChIKeyYRSNTNVQKAXQEJ-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
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 (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate?
The IUPAC name of (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate (CID 58662878) is (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate?
The canonical SMILES for (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate is C=C(F)C(=O)OC1CCOC1=O.
What is the InChIKey of (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate?
The InChIKey is YRSNTNVQKAXQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4/c1-4(8)6(9)12-5-2-3-11-7(5)10/h5H,1-3H2.
What are the key properties of (2-oxooxolan-3-yl) 2-fluoroprop-2-enoate?
(2-oxooxolan-3-yl) 2-fluoroprop-2-enoate has a molecular weight of 174.13 g/mol, XLogP of 0.33, 2 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-fluoroprop-2-enoate is sourced from PubChem (CID 58662878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).