2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole

C5F8O2 — CID 14716214

IUPAC2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
SMILESFC1=C(F)OC(F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C5F8O2/c6-1-2(7)15-5(13,14-1)3(8,9)4(10,11)12
InChIKeyKJWQVURJXRNWPT-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.92
Rot. Bonds1

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

2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole (PubChem CID 14716214) has the molecular formula C5F8O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
PubChem CID14716214
Molecular FormulaC5F8O2
Molecular Weight244.04 g/mol
Exact Mass243.98
IUPAC Name2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole
SMILESFC1=C(F)OC(F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C5F8O2/c6-1-2(7)15-5(13,14-1)3(8,9)4(10,11)12
InChIKeyKJWQVURJXRNWPT-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The IUPAC name of 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole (CID 14716214) is 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole.
What is the SMILES notation for 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The canonical SMILES for 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole is FC1=C(F)OC(F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
The InChIKey is KJWQVURJXRNWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O2/c6-1-2(7)15-5(13,14-1)3(8,9)4(10,11)12.
What are the key properties of 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole?
2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole has a molecular weight of 244.04 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-2-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxole is sourced from PubChem (CID 14716214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).