bis(2,2-difluoroethyl) carbonate

C5H6F4O3 — CID 15985041

IUPACbis(2,2-difluoroethyl) carbonate
SMILESO=C(OCC(F)F)OCC(F)F
InChIInChI=1S/C5H6F4O3/c6-3(7)1-11-5(10)12-2-4(8)9/h3-4H,1-2H2
InChIKeyUYFISINJOLGYBJ-UHFFFAOYSA-N
MW190.09 g/mol
LogP1.67
Rot. Bonds4

About bis(2,2-difluoroethyl) carbonate

bis(2,2-difluoroethyl) carbonate (PubChem CID 15985041) has the molecular formula C5H6F4O3 and a molecular weight of 190.09 g/mol. Its IUPAC name is bis(2,2-difluoroethyl) carbonate.

Molecular Properties

Compound Namebis(2,2-difluoroethyl) carbonate
PubChem CID15985041
Molecular FormulaC5H6F4O3
Molecular Weight190.09 g/mol
Exact Mass190.03
IUPAC Namebis(2,2-difluoroethyl) carbonate
SMILESO=C(OCC(F)F)OCC(F)F
InChIInChI=1S/C5H6F4O3/c6-3(7)1-11-5(10)12-2-4(8)9/h3-4H,1-2H2
InChIKeyUYFISINJOLGYBJ-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-difluoroethyl) carbonate?
The IUPAC name of bis(2,2-difluoroethyl) carbonate (CID 15985041) is bis(2,2-difluoroethyl) carbonate.
What is the SMILES notation for bis(2,2-difluoroethyl) carbonate?
The canonical SMILES for bis(2,2-difluoroethyl) carbonate is O=C(OCC(F)F)OCC(F)F.
What is the InChIKey of bis(2,2-difluoroethyl) carbonate?
The InChIKey is UYFISINJOLGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O3/c6-3(7)1-11-5(10)12-2-4(8)9/h3-4H,1-2H2.
What are the key properties of bis(2,2-difluoroethyl) carbonate?
bis(2,2-difluoroethyl) carbonate has a molecular weight of 190.09 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-difluoroethyl) carbonate is sourced from PubChem (CID 15985041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).