fluoro 1-fluorooxycarbonyloxyethyl carbonate

C4H4F2O6 — CID 177250610

IUPACfluoro 1-fluorooxycarbonyloxyethyl carbonate
SMILESCC(OC(=O)OF)OC(=O)OF
InChIInChI=1S/C4H4F2O6/c1-2(9-3(7)11-5)10-4(8)12-6/h2H,1H3
InChIKeyKKFJNXXMADXAPR-UHFFFAOYSA-N
MW186.07 g/mol
LogP1.41
Rot. Bonds2

About fluoro 1-fluorooxycarbonyloxyethyl carbonate

fluoro 1-fluorooxycarbonyloxyethyl carbonate (PubChem CID 177250610) has the molecular formula C4H4F2O6 and a molecular weight of 186.07 g/mol. Its IUPAC name is fluoro 1-fluorooxycarbonyloxyethyl carbonate.

Molecular Properties

Compound Namefluoro 1-fluorooxycarbonyloxyethyl carbonate
PubChem CID177250610
Molecular FormulaC4H4F2O6
Molecular Weight186.07 g/mol
Exact Mass186.00
IUPAC Namefluoro 1-fluorooxycarbonyloxyethyl carbonate
SMILESCC(OC(=O)OF)OC(=O)OF
InChIInChI=1S/C4H4F2O6/c1-2(9-3(7)11-5)10-4(8)12-6/h2H,1H3
InChIKeyKKFJNXXMADXAPR-UHFFFAOYSA-N
XLogP1.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 fluoro 1-fluorooxycarbonyloxyethyl carbonate?
The IUPAC name of fluoro 1-fluorooxycarbonyloxyethyl carbonate (CID 177250610) is fluoro 1-fluorooxycarbonyloxyethyl carbonate.
What is the SMILES notation for fluoro 1-fluorooxycarbonyloxyethyl carbonate?
The canonical SMILES for fluoro 1-fluorooxycarbonyloxyethyl carbonate is CC(OC(=O)OF)OC(=O)OF.
What is the InChIKey of fluoro 1-fluorooxycarbonyloxyethyl carbonate?
The InChIKey is KKFJNXXMADXAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O6/c1-2(9-3(7)11-5)10-4(8)12-6/h2H,1H3.
What are the key properties of fluoro 1-fluorooxycarbonyloxyethyl carbonate?
fluoro 1-fluorooxycarbonyloxyethyl carbonate has a molecular weight of 186.07 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-fluorooxycarbonyloxyethyl carbonate is sourced from PubChem (CID 177250610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).