4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one

C5H5F3O3 — CID 59128185

IUPAC4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one
SMILESCCC1(F)OC(=O)OC1(F)F
InChIInChI=1S/C5H5F3O3/c1-2-4(6)5(7,8)11-3(9)10-4/h2H2,1H3
InChIKeyHHJUDTFPZOQXBN-UHFFFAOYSA-N
MW170.09 g/mol
LogP1.82
Rot. Bonds1

About 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one

4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one (PubChem CID 59128185) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one
PubChem CID59128185
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one
SMILESCCC1(F)OC(=O)OC1(F)F
InChIInChI=1S/C5H5F3O3/c1-2-4(6)5(7,8)11-3(9)10-4/h2H2,1H3
InChIKeyHHJUDTFPZOQXBN-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one?
The IUPAC name of 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one (CID 59128185) is 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one is CCC1(F)OC(=O)OC1(F)F.
What is the InChIKey of 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one?
The InChIKey is HHJUDTFPZOQXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c1-2-4(6)5(7,8)11-3(9)10-4/h2H2,1H3.
What are the key properties of 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one?
4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one has a molecular weight of 170.09 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5,5-trifluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 59128185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).