bis(2,2,3,3-tetrafluoropropyl) carbonate

C7H6F8O3 — CID 11659296

IUPACbis(2,2,3,3-tetrafluoropropyl) carbonate
SMILESO=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C7H6F8O3/c8-3(9)6(12,13)1-17-5(16)18-2-7(14,15)4(10)11/h3-4H,1-2H2
InChIKeyVDLHKDQLOUOMTC-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.94
Rot. Bonds6

About bis(2,2,3,3-tetrafluoropropyl) carbonate

bis(2,2,3,3-tetrafluoropropyl) carbonate (PubChem CID 11659296) has the molecular formula C7H6F8O3 and a molecular weight of 290.11 g/mol. Its IUPAC name is bis(2,2,3,3-tetrafluoropropyl) carbonate.

Molecular Properties

Compound Namebis(2,2,3,3-tetrafluoropropyl) carbonate
PubChem CID11659296
Molecular FormulaC7H6F8O3
Molecular Weight290.11 g/mol
Exact Mass290.02
IUPAC Namebis(2,2,3,3-tetrafluoropropyl) carbonate
SMILESO=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C7H6F8O3/c8-3(9)6(12,13)1-17-5(16)18-2-7(14,15)4(10)11/h3-4H,1-2H2
InChIKeyVDLHKDQLOUOMTC-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,2,3,3-tetrafluoropropyl) carbonate?
The IUPAC name of bis(2,2,3,3-tetrafluoropropyl) carbonate (CID 11659296) is bis(2,2,3,3-tetrafluoropropyl) carbonate.
What is the SMILES notation for bis(2,2,3,3-tetrafluoropropyl) carbonate?
The canonical SMILES for bis(2,2,3,3-tetrafluoropropyl) carbonate is O=C(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of bis(2,2,3,3-tetrafluoropropyl) carbonate?
The InChIKey is VDLHKDQLOUOMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O3/c8-3(9)6(12,13)1-17-5(16)18-2-7(14,15)4(10)11/h3-4H,1-2H2.
What are the key properties of bis(2,2,3,3-tetrafluoropropyl) carbonate?
bis(2,2,3,3-tetrafluoropropyl) carbonate has a molecular weight of 290.11 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,3,3-tetrafluoropropyl) carbonate is sourced from PubChem (CID 11659296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).