4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide

C4H7FO3S — CID 118152022

IUPAC4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OCC(CCF)O1
InChIInChI=1S/C4H7FO3S/c5-2-1-4-3-7-9(6)8-4/h4H,1-3H2
InChIKeyJBAFHEMDTJNHSW-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.34
Rot. Bonds2

About 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide

4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide (PubChem CID 118152022) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
PubChem CID118152022
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
SMILESO=S1OCC(CCF)O1
InChIInChI=1S/C4H7FO3S/c5-2-1-4-3-7-9(6)8-4/h4H,1-3H2
InChIKeyJBAFHEMDTJNHSW-UHFFFAOYSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Fluoromethyl)-1,3,2lambda~4~-dioxathiolan-2-one
CID 13779203
4-(2,2,2-Trifluoroethyl)-1,3,2-dioxathiolane 2-oxide
CID 90465360
4-Ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
CID 118148719
4-Fluoro-5-methyl-1,3,2-dioxathiolane 2-oxide
CID 118148723
4-Fluoro-5-propyl-1,3,2-dioxathiolane 2-oxide
CID 118148724
4-Ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118148725
4,5-Bis(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118151972
4-Fluoro-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152023
4-Fluoro-5-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152025
4-Ethyl-5-fluoro-1,3,2-dioxathiolane 2,2-dioxide
CID 146259189
(2S,4R)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 95241659
(2S,4S)-4-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
CID 95241660

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide (CID 118152022) is 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide is O=S1OCC(CCF)O1.
What is the InChIKey of 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
The InChIKey is JBAFHEMDTJNHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3S/c5-2-1-4-3-7-9(6)8-4/h4H,1-3H2.
What are the key properties of 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide?
4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide has a molecular weight of 154.16 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 118152022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).