1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane

C7H11FO4S — CID 141281248

IUPAC1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane
SMILESCC(COC=CF)OCC=S(=O)=O
InChIInChI=1S/C7H11FO4S/c1-7(6-11-3-2-8)12-4-5-13(9)10/h2-3,5,7H,4,6H2,1H3
InChIKeyMTYLEOPIUJDIMA-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.53
Rot. Bonds6

About 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane

1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane (PubChem CID 141281248) has the molecular formula C7H11FO4S and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane.

Molecular Properties

Compound Name1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane
PubChem CID141281248
Molecular FormulaC7H11FO4S
Molecular Weight210.23 g/mol
Exact Mass210.04
IUPAC Name1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane
SMILESCC(COC=CF)OCC=S(=O)=O
InChIInChI=1S/C7H11FO4S/c1-7(6-11-3-2-8)12-4-5-13(9)10/h2-3,5,7H,4,6H2,1H3
InChIKeyMTYLEOPIUJDIMA-UHFFFAOYSA-N
XLogP0.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane?
The IUPAC name of 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane (CID 141281248) is 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane.
What is the SMILES notation for 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane?
The canonical SMILES for 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane is CC(COC=CF)OCC=S(=O)=O.
What is the InChIKey of 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane?
The InChIKey is MTYLEOPIUJDIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4S/c1-7(6-11-3-2-8)12-4-5-13(9)10/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane?
1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane has a molecular weight of 210.23 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethenoxy)-2-(2-sulfonylethoxy)propane is sourced from PubChem (CID 141281248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).