2-fluoroethenyl methyl carbonate

C4H5FO3 — CID 123799779

IUPAC2-fluoroethenyl methyl carbonate
SMILESCOC(=O)OC=CF
InChIInChI=1S/C4H5FO3/c1-7-4(6)8-3-2-5/h2-3H,1H3
InChIKeyIZQOMGQRFOVNLE-UHFFFAOYSA-N
MW120.08 g/mol
LogP1.21
Rot. Bonds1

About 2-fluoroethenyl methyl carbonate

2-fluoroethenyl methyl carbonate (PubChem CID 123799779) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is 2-fluoroethenyl methyl carbonate.

Molecular Properties

Compound Name2-fluoroethenyl methyl carbonate
PubChem CID123799779
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name2-fluoroethenyl methyl carbonate
SMILESCOC(=O)OC=CF
InChIInChI=1S/C4H5FO3/c1-7-4(6)8-3-2-5/h2-3H,1H3
InChIKeyIZQOMGQRFOVNLE-UHFFFAOYSA-N
XLogP1.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethenyl methyl carbonate?
The IUPAC name of 2-fluoroethenyl methyl carbonate (CID 123799779) is 2-fluoroethenyl methyl carbonate.
What is the SMILES notation for 2-fluoroethenyl methyl carbonate?
The canonical SMILES for 2-fluoroethenyl methyl carbonate is COC(=O)OC=CF.
What is the InChIKey of 2-fluoroethenyl methyl carbonate?
The InChIKey is IZQOMGQRFOVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c1-7-4(6)8-3-2-5/h2-3H,1H3.
What are the key properties of 2-fluoroethenyl methyl carbonate?
2-fluoroethenyl methyl carbonate has a molecular weight of 120.08 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethenyl methyl carbonate is sourced from PubChem (CID 123799779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).