1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate

C4F8O3 — CID 87246666

IUPAC1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate
SMILESO=C(OC(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4F8O3/c5-2(6,7)3(8,9)14-1(13)15-4(10,11)12
InChIKeyLAQQCSDJVLHSOK-UHFFFAOYSA-N
MW248.02 g/mol
LogP2.81
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate

1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate (PubChem CID 87246666) has the molecular formula C4F8O3 and a molecular weight of 248.02 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate
PubChem CID87246666
Molecular FormulaC4F8O3
Molecular Weight248.02 g/mol
Exact Mass247.97
IUPAC Name1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate
SMILESO=C(OC(F)(F)F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4F8O3/c5-2(6,7)3(8,9)14-1(13)15-4(10,11)12
InChIKeyLAQQCSDJVLHSOK-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.02
LogP ≤ 52.81
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 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate (CID 87246666) is 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate is O=C(OC(F)(F)F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate?
The InChIKey is LAQQCSDJVLHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O3/c5-2(6,7)3(8,9)14-1(13)15-4(10,11)12.
What are the key properties of 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate?
1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate has a molecular weight of 248.02 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl trifluoromethyl carbonate is sourced from PubChem (CID 87246666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).