ethenyl 1-fluoroethyl carbonate

C5H7FO3 — CID 90239988

IUPACethenyl 1-fluoroethyl carbonate
SMILESC=COC(=O)OC(C)F
InChIInChI=1S/C5H7FO3/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3
InChIKeyXIPYNMWPFAKWHV-UHFFFAOYSA-N
MW134.11 g/mol
LogP1.60
Rot. Bonds2

About ethenyl 1-fluoroethyl carbonate

ethenyl 1-fluoroethyl carbonate (PubChem CID 90239988) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is ethenyl 1-fluoroethyl carbonate.

Molecular Properties

Compound Nameethenyl 1-fluoroethyl carbonate
PubChem CID90239988
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Nameethenyl 1-fluoroethyl carbonate
SMILESC=COC(=O)OC(C)F
InChIInChI=1S/C5H7FO3/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3
InChIKeyXIPYNMWPFAKWHV-UHFFFAOYSA-N
XLogP1.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 51.60
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 ethenyl 1-fluoroethyl carbonate?
The IUPAC name of ethenyl 1-fluoroethyl carbonate (CID 90239988) is ethenyl 1-fluoroethyl carbonate.
What is the SMILES notation for ethenyl 1-fluoroethyl carbonate?
The canonical SMILES for ethenyl 1-fluoroethyl carbonate is C=COC(=O)OC(C)F.
What is the InChIKey of ethenyl 1-fluoroethyl carbonate?
The InChIKey is XIPYNMWPFAKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3.
What are the key properties of ethenyl 1-fluoroethyl carbonate?
ethenyl 1-fluoroethyl carbonate has a molecular weight of 134.11 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 1-fluoroethyl carbonate is sourced from PubChem (CID 90239988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).