1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane

C8H17FO4S — CID 90389539

IUPAC1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane
SMILESCCS(=O)(=O)CCOCCOCCF
InChIInChI=1S/C8H17FO4S/c1-2-14(10,11)8-7-13-6-5-12-4-3-9/h2-8H2,1H3
InChIKeyWXWJSKTYPKKMQI-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.42
Rot. Bonds9

About 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane

1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane (PubChem CID 90389539) has the molecular formula C8H17FO4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane.

Molecular Properties

Compound Name1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane
PubChem CID90389539
Molecular FormulaC8H17FO4S
Molecular Weight228.28 g/mol
Exact Mass228.08
IUPAC Name1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane
SMILESCCS(=O)(=O)CCOCCOCCF
InChIInChI=1S/C8H17FO4S/c1-2-14(10,11)8-7-13-6-5-12-4-3-9/h2-8H2,1H3
InChIKeyWXWJSKTYPKKMQI-UHFFFAOYSA-N
XLogP0.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane?
The IUPAC name of 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane (CID 90389539) is 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane.
What is the SMILES notation for 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane?
The canonical SMILES for 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane is CCS(=O)(=O)CCOCCOCCF.
What is the InChIKey of 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane?
The InChIKey is WXWJSKTYPKKMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO4S/c1-2-14(10,11)8-7-13-6-5-12-4-3-9/h2-8H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane?
1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane has a molecular weight of 228.28 g/mol, XLogP of 0.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethoxy)-2-(2-fluoroethoxy)ethane is sourced from PubChem (CID 90389539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).