bis(2,2,2-trifluoroethyl) carbonate

C5H4F6O3 — CID 11447463

IUPACbis(2,2,2-trifluoroethyl) carbonate
SMILESO=C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
InChIKeyWLLOZRDOFANZMZ-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.26
Rot. Bonds2

About bis(2,2,2-trifluoroethyl) carbonate

bis(2,2,2-trifluoroethyl) carbonate (PubChem CID 11447463) has the molecular formula C5H4F6O3 and a molecular weight of 226.07 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) carbonate.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) carbonate
PubChem CID11447463
Molecular FormulaC5H4F6O3
Molecular Weight226.07 g/mol
Exact Mass226.01
IUPAC Namebis(2,2,2-trifluoroethyl) carbonate
SMILESO=C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2
InChIKeyWLLOZRDOFANZMZ-UHFFFAOYSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) carbonate?
The IUPAC name of bis(2,2,2-trifluoroethyl) carbonate (CID 11447463) is bis(2,2,2-trifluoroethyl) carbonate.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) carbonate?
The canonical SMILES for bis(2,2,2-trifluoroethyl) carbonate is O=C(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) carbonate?
The InChIKey is WLLOZRDOFANZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O3/c6-4(7,8)1-13-3(12)14-2-5(9,10)11/h1-2H2.
What are the key properties of bis(2,2,2-trifluoroethyl) carbonate?
bis(2,2,2-trifluoroethyl) carbonate has a molecular weight of 226.07 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) carbonate is sourced from PubChem (CID 11447463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).