2-fluoroethoxymethyl methyl carbonate

C5H9FO4 — CID 58051865

IUPAC2-fluoroethoxymethyl methyl carbonate
SMILESCOC(=O)OCOCCF
InChIInChI=1S/C5H9FO4/c1-8-5(7)10-4-9-3-2-6/h2-4H2,1H3
InChIKeyOXCKCFVYVNLIHL-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.71
Rot. Bonds4

About 2-fluoroethoxymethyl methyl carbonate

2-fluoroethoxymethyl methyl carbonate (PubChem CID 58051865) has the molecular formula C5H9FO4 and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-fluoroethoxymethyl methyl carbonate.

Molecular Properties

Compound Name2-fluoroethoxymethyl methyl carbonate
PubChem CID58051865
Molecular FormulaC5H9FO4
Molecular Weight152.12 g/mol
Exact Mass152.05
IUPAC Name2-fluoroethoxymethyl methyl carbonate
SMILESCOC(=O)OCOCCF
InChIInChI=1S/C5H9FO4/c1-8-5(7)10-4-9-3-2-6/h2-4H2,1H3
InChIKeyOXCKCFVYVNLIHL-UHFFFAOYSA-N
XLogP0.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethoxymethyl methyl carbonate?
The IUPAC name of 2-fluoroethoxymethyl methyl carbonate (CID 58051865) is 2-fluoroethoxymethyl methyl carbonate.
What is the SMILES notation for 2-fluoroethoxymethyl methyl carbonate?
The canonical SMILES for 2-fluoroethoxymethyl methyl carbonate is COC(=O)OCOCCF.
What is the InChIKey of 2-fluoroethoxymethyl methyl carbonate?
The InChIKey is OXCKCFVYVNLIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO4/c1-8-5(7)10-4-9-3-2-6/h2-4H2,1H3.
What are the key properties of 2-fluoroethoxymethyl methyl carbonate?
2-fluoroethoxymethyl methyl carbonate has a molecular weight of 152.12 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxymethyl methyl carbonate is sourced from PubChem (CID 58051865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).