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

C4H7FO3S — CID 118148719

IUPAC4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
SMILESCCC1OS(=O)OC1F
InChIInChI=1S/C4H7FO3S/c1-2-3-4(5)8-9(6)7-3/h3-4H,2H2,1H3
InChIKeyDIKBRRDHHKCWJJ-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds1

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

4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide (PubChem CID 118148719) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
PubChem CID118148719
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
SMILESCCC1OS(=O)OC1F
InChIInChI=1S/C4H7FO3S/c1-2-3-4(5)8-9(6)7-3/h3-4H,2H2,1H3
InChIKeyDIKBRRDHHKCWJJ-UHFFFAOYSA-N
XLogP0.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
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-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide (CID 118148719) is 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide is CCC1OS(=O)OC1F.
What is the InChIKey of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide?
The InChIKey is DIKBRRDHHKCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3S/c1-2-3-4(5)8-9(6)7-3/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide?
4-ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide has a molecular weight of 154.16 g/mol, XLogP of 0.69, 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-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 118148719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).