4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide

C4H7FO4S — CID 146259189

IUPAC4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCC1OS(=O)(=O)OC1F
InChIInChI=1S/C4H7FO4S/c1-2-3-4(5)9-10(6,7)8-3/h3-4H,2H2,1H3
InChIKeyQCHBUQNHECQOEP-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.35
Rot. Bonds1

About 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide

4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 146259189) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID146259189
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Name4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCC1OS(=O)(=O)OC1F
InChIInChI=1S/C4H7FO4S/c1-2-3-4(5)9-10(6,7)8-3/h3-4H,2H2,1H3
InChIKeyQCHBUQNHECQOEP-UHFFFAOYSA-N
XLogP0.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide (CID 146259189) is 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide is CCC1OS(=O)(=O)OC1F.
What is the InChIKey of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is QCHBUQNHECQOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-2-3-4(5)9-10(6,7)8-3/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide?
4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 170.16 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 146259189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).