4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one

C5F8O3 — CID 89287073

IUPAC4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C5F8O3/c6-2(7,4(9,10)11)3(8)5(12,13)16-1(14)15-3
InChIKeyWCSQIKWXGNOCCB-UHFFFAOYSA-N
MW260.04 g/mol
LogP2.61
Rot. Bonds1

About 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one

4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one (PubChem CID 89287073) has the molecular formula C5F8O3 and a molecular weight of 260.04 g/mol. Its IUPAC name is 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
PubChem CID89287073
Molecular FormulaC5F8O3
Molecular Weight260.04 g/mol
Exact Mass259.97
IUPAC Name4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
SMILESO=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C5F8O3/c6-2(7,4(9,10)11)3(8)5(12,13)16-1(14)15-3
InChIKeyWCSQIKWXGNOCCB-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.04
LogP ≤ 52.61
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 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one (CID 89287073) is 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one is O=C1OC(F)(F)C(F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
The InChIKey is WCSQIKWXGNOCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O3/c6-2(7,4(9,10)11)3(8)5(12,13)16-1(14)15-3.
What are the key properties of 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one?
4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one has a molecular weight of 260.04 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-5-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 89287073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).