4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide

C5H9FO3S — CID 118148725

IUPAC4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
SMILESCCC1OS(=O)OC1CF
InChIInChI=1S/C5H9FO3S/c1-2-4-5(3-6)9-10(7)8-4/h4-5H,2-3H2,1H3
InChIKeyYIKGAXULCSAYAB-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.73
Rot. Bonds2

About 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide

4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide (PubChem CID 118148725) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide.

Molecular Properties

Compound Name4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
PubChem CID118148725
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide
SMILESCCC1OS(=O)OC1CF
InChIInChI=1S/C5H9FO3S/c1-2-4-5(3-6)9-10(7)8-4/h4-5H,2-3H2,1H3
InChIKeyYIKGAXULCSAYAB-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-5-(fluoromethyl)-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-Ethyl-5-fluoro-1,3,2-dioxathiolane 2-oxide
CID 118148719
4-Fluoro-5-propyl-1,3,2-dioxathiolane 2-oxide
CID 118148724
4-(2-Fluoroethyl)-1,3,2-dioxathiolane 2-oxide
CID 118152022
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
4-Ethyl-1,3,2lambda~4~-dioxathiolan-2-one
CID 14594671
4,5-Diethyl-1,3,2-dioxathiolane 2-oxide
CID 21337491
(4R,5R)-4,5-diethyl-1,3,2-dioxathiolane 2-oxide
CID 53897025
(4R)-4-propyl-1,3,2-dioxathiolane 2-oxide
CID 57543493
(4S)-4-ethyl-1,3,2-dioxathiolane 2-oxide
CID 71534126
4-Propyl-1,3,2-dioxathiolane 2-oxide
CID 76560524
4-Propyl-1,3,2-dioxathiolane
CID 90843284

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The IUPAC name of 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide (CID 118148725) is 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide.
What is the SMILES notation for 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The canonical SMILES for 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide is CCC1OS(=O)OC1CF.
What is the InChIKey of 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
The InChIKey is YIKGAXULCSAYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-2-4-5(3-6)9-10(7)8-4/h4-5H,2-3H2,1H3.
What are the key properties of 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide?
4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide has a molecular weight of 168.19 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(fluoromethyl)-1,3,2-dioxathiolane 2-oxide is sourced from PubChem (CID 118148725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).