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

C5H7FO3 — CID 59128179

IUPAC4-ethyl-5-fluoro-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1F
InChIInChI=1S/C5H7FO3/c1-2-3-4(6)9-5(7)8-3/h3-4H,2H2,1H3
InChIKeyIZBRPTWAQREQRL-UHFFFAOYSA-N
MW134.11 g/mol
LogP1.23
Rot. Bonds1

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

4-ethyl-5-fluoro-1,3-dioxolan-2-one (PubChem CID 59128179) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1,3-dioxolan-2-one
PubChem CID59128179
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name4-ethyl-5-fluoro-1,3-dioxolan-2-one
SMILESCCC1OC(=O)OC1F
InChIInChI=1S/C5H7FO3/c1-2-3-4(6)9-5(7)8-3/h3-4H,2H2,1H3
InChIKeyIZBRPTWAQREQRL-UHFFFAOYSA-N
XLogP1.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1,3-dioxolan-2-one?
The IUPAC name of 4-ethyl-5-fluoro-1,3-dioxolan-2-one (CID 59128179) is 4-ethyl-5-fluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethyl-5-fluoro-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethyl-5-fluoro-1,3-dioxolan-2-one is CCC1OC(=O)OC1F.
What is the InChIKey of 4-ethyl-5-fluoro-1,3-dioxolan-2-one?
The InChIKey is IZBRPTWAQREQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO3/c1-2-3-4(6)9-5(7)8-3/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-1,3-dioxolan-2-one?
4-ethyl-5-fluoro-1,3-dioxolan-2-one has a molecular weight of 134.11 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 59128179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).