carbonofluoridoyloxymethyl 2-fluoroacetate

C4H4F2O4 — CID 156678146

IUPACcarbonofluoridoyloxymethyl 2-fluoroacetate
SMILESO=C(F)OCOC(=O)CF
InChIInChI=1S/C4H4F2O4/c5-1-3(7)9-2-10-4(6)8/h1-2H2
InChIKeyLSHLYYGKUCCFCO-UHFFFAOYSA-N
MW154.07 g/mol
LogP0.56
Rot. Bonds3

About carbonofluoridoyloxymethyl 2-fluoroacetate

carbonofluoridoyloxymethyl 2-fluoroacetate (PubChem CID 156678146) has the molecular formula C4H4F2O4 and a molecular weight of 154.07 g/mol. Its IUPAC name is carbonofluoridoyloxymethyl 2-fluoroacetate.

Molecular Properties

Compound Namecarbonofluoridoyloxymethyl 2-fluoroacetate
PubChem CID156678146
Molecular FormulaC4H4F2O4
Molecular Weight154.07 g/mol
Exact Mass154.01
IUPAC Namecarbonofluoridoyloxymethyl 2-fluoroacetate
SMILESO=C(F)OCOC(=O)CF
InChIInChI=1S/C4H4F2O4/c5-1-3(7)9-2-10-4(6)8/h1-2H2
InChIKeyLSHLYYGKUCCFCO-UHFFFAOYSA-N
XLogP0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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 carbonofluoridoyloxymethyl 2-fluoroacetate?
The IUPAC name of carbonofluoridoyloxymethyl 2-fluoroacetate (CID 156678146) is carbonofluoridoyloxymethyl 2-fluoroacetate.
What is the SMILES notation for carbonofluoridoyloxymethyl 2-fluoroacetate?
The canonical SMILES for carbonofluoridoyloxymethyl 2-fluoroacetate is O=C(F)OCOC(=O)CF.
What is the InChIKey of carbonofluoridoyloxymethyl 2-fluoroacetate?
The InChIKey is LSHLYYGKUCCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O4/c5-1-3(7)9-2-10-4(6)8/h1-2H2.
What are the key properties of carbonofluoridoyloxymethyl 2-fluoroacetate?
carbonofluoridoyloxymethyl 2-fluoroacetate has a molecular weight of 154.07 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonofluoridoyloxymethyl 2-fluoroacetate is sourced from PubChem (CID 156678146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).