2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate

C7H7FO4 — CID 163978981

IUPAC2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate
SMILESC=COC(=O)C(=O)OCC(=C)F
InChIInChI=1S/C7H7FO4/c1-3-11-6(9)7(10)12-4-5(2)8/h3H,1-2,4H2
InChIKeySWRNOZVXFQDVAW-UHFFFAOYSA-N
MW174.13 g/mol
LogP0.70
Rot. Bonds3

About 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate

2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate (PubChem CID 163978981) has the molecular formula C7H7FO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate.

Molecular Properties

Compound Name2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate
PubChem CID163978981
Molecular FormulaC7H7FO4
Molecular Weight174.13 g/mol
Exact Mass174.03
IUPAC Name2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate
SMILESC=COC(=O)C(=O)OCC(=C)F
InChIInChI=1S/C7H7FO4/c1-3-11-6(9)7(10)12-4-5(2)8/h3H,1-2,4H2
InChIKeySWRNOZVXFQDVAW-UHFFFAOYSA-N
XLogP0.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate?
The IUPAC name of 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate (CID 163978981) is 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate.
What is the SMILES notation for 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate?
The canonical SMILES for 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate is C=COC(=O)C(=O)OCC(=C)F.
What is the InChIKey of 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate?
The InChIKey is SWRNOZVXFQDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4/c1-3-11-6(9)7(10)12-4-5(2)8/h3H,1-2,4H2.
What are the key properties of 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate?
2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate has a molecular weight of 174.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethenyl 1-O-(2-fluoroprop-2-enyl) oxalate is sourced from PubChem (CID 163978981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).