1-ethylsulfinyl-2-fluoroethane

C4H9FOS — CID 54332177

IUPAC1-ethylsulfinyl-2-fluoroethane
SMILESCCS(=O)CCF
InChIInChI=1S/C4H9FOS/c1-2-7(6)4-3-5/h2-4H2,1H3
InChIKeyRJRFCCCZQZHVOZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP0.72
Rot. Bonds3

About 1-ethylsulfinyl-2-fluoroethane

1-ethylsulfinyl-2-fluoroethane (PubChem CID 54332177) has the molecular formula C4H9FOS and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-ethylsulfinyl-2-fluoroethane.

Molecular Properties

Compound Name1-ethylsulfinyl-2-fluoroethane
PubChem CID54332177
Molecular FormulaC4H9FOS
Molecular Weight124.18 g/mol
Exact Mass124.04
IUPAC Name1-ethylsulfinyl-2-fluoroethane
SMILESCCS(=O)CCF
InChIInChI=1S/C4H9FOS/c1-2-7(6)4-3-5/h2-4H2,1H3
InChIKeyRJRFCCCZQZHVOZ-UHFFFAOYSA-N
XLogP0.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethylsulfinyl-2-fluoroethane 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-ethylsulfinyl-2-fluoroethane?
The IUPAC name of 1-ethylsulfinyl-2-fluoroethane (CID 54332177) is 1-ethylsulfinyl-2-fluoroethane.
What is the SMILES notation for 1-ethylsulfinyl-2-fluoroethane?
The canonical SMILES for 1-ethylsulfinyl-2-fluoroethane is CCS(=O)CCF.
What is the InChIKey of 1-ethylsulfinyl-2-fluoroethane?
The InChIKey is RJRFCCCZQZHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FOS/c1-2-7(6)4-3-5/h2-4H2,1H3.
What are the key properties of 1-ethylsulfinyl-2-fluoroethane?
1-ethylsulfinyl-2-fluoroethane has a molecular weight of 124.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-2-fluoroethane is sourced from PubChem (CID 54332177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).