bis(1,1,2,2,2-pentafluoroethyl) carbonate

C5F10O3 — CID 14963674

IUPACbis(1,1,2,2,2-pentafluoroethyl) carbonate
SMILESO=C(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O3/c6-2(7,8)4(12,13)17-1(16)18-5(14,15)3(9,10)11
InChIKeyBCDNOCIXDNHODD-UHFFFAOYSA-N
MW298.03 g/mol
LogP3.45
Rot. Bonds2

About bis(1,1,2,2,2-pentafluoroethyl) carbonate

bis(1,1,2,2,2-pentafluoroethyl) carbonate (PubChem CID 14963674) has the molecular formula C5F10O3 and a molecular weight of 298.03 g/mol. Its IUPAC name is bis(1,1,2,2,2-pentafluoroethyl) carbonate.

Molecular Properties

Compound Namebis(1,1,2,2,2-pentafluoroethyl) carbonate
PubChem CID14963674
Molecular FormulaC5F10O3
Molecular Weight298.03 g/mol
Exact Mass297.97
IUPAC Namebis(1,1,2,2,2-pentafluoroethyl) carbonate
SMILESO=C(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C5F10O3/c6-2(7,8)4(12,13)17-1(16)18-5(14,15)3(9,10)11
InChIKeyBCDNOCIXDNHODD-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.03
LogP ≤ 53.45
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(1,1,2,2,2-pentafluoroethyl) carbonate?
The IUPAC name of bis(1,1,2,2,2-pentafluoroethyl) carbonate (CID 14963674) is bis(1,1,2,2,2-pentafluoroethyl) carbonate.
What is the SMILES notation for bis(1,1,2,2,2-pentafluoroethyl) carbonate?
The canonical SMILES for bis(1,1,2,2,2-pentafluoroethyl) carbonate is O=C(OC(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of bis(1,1,2,2,2-pentafluoroethyl) carbonate?
The InChIKey is BCDNOCIXDNHODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10O3/c6-2(7,8)4(12,13)17-1(16)18-5(14,15)3(9,10)11.
What are the key properties of bis(1,1,2,2,2-pentafluoroethyl) carbonate?
bis(1,1,2,2,2-pentafluoroethyl) carbonate has a molecular weight of 298.03 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,2,2,2-pentafluoroethyl) carbonate is sourced from PubChem (CID 14963674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).