fluorooxycarbonyloxymethyl acetate

C4H5FO5 — CID 154177961

IUPACfluorooxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)OF
InChIInChI=1S/C4H5FO5/c1-3(6)8-2-9-4(7)10-5/h2H2,1H3
InChIKeyILLRKZWHEZQAMM-UHFFFAOYSA-N
MW152.08 g/mol
LogP0.54
Rot. Bonds2

About fluorooxycarbonyloxymethyl acetate

fluorooxycarbonyloxymethyl acetate (PubChem CID 154177961) has the molecular formula C4H5FO5 and a molecular weight of 152.08 g/mol. Its IUPAC name is fluorooxycarbonyloxymethyl acetate.

Molecular Properties

Compound Namefluorooxycarbonyloxymethyl acetate
PubChem CID154177961
Molecular FormulaC4H5FO5
Molecular Weight152.08 g/mol
Exact Mass152.01
IUPAC Namefluorooxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)OF
InChIInChI=1S/C4H5FO5/c1-3(6)8-2-9-4(7)10-5/h2H2,1H3
InChIKeyILLRKZWHEZQAMM-UHFFFAOYSA-N
XLogP0.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluorooxycarbonyloxymethyl acetate?
The IUPAC name of fluorooxycarbonyloxymethyl acetate (CID 154177961) is fluorooxycarbonyloxymethyl acetate.
What is the SMILES notation for fluorooxycarbonyloxymethyl acetate?
The canonical SMILES for fluorooxycarbonyloxymethyl acetate is CC(=O)OCOC(=O)OF.
What is the InChIKey of fluorooxycarbonyloxymethyl acetate?
The InChIKey is ILLRKZWHEZQAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO5/c1-3(6)8-2-9-4(7)10-5/h2H2,1H3.
What are the key properties of fluorooxycarbonyloxymethyl acetate?
fluorooxycarbonyloxymethyl acetate has a molecular weight of 152.08 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluorooxycarbonyloxymethyl acetate is sourced from PubChem (CID 154177961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).