2-ethylsulfinyl-1-fluoropropane

C5H11FOS — CID 87155749

IUPAC2-ethylsulfinyl-1-fluoropropane
SMILESCCS(=O)C(C)CF
InChIInChI=1S/C5H11FOS/c1-3-8(7)5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyCDBQHPDTANETOC-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.11
Rot. Bonds3

About 2-ethylsulfinyl-1-fluoropropane

2-ethylsulfinyl-1-fluoropropane (PubChem CID 87155749) has the molecular formula C5H11FOS and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethylsulfinyl-1-fluoropropane.

Molecular Properties

Compound Name2-ethylsulfinyl-1-fluoropropane
PubChem CID87155749
Molecular FormulaC5H11FOS
Molecular Weight138.21 g/mol
Exact Mass138.05
IUPAC Name2-ethylsulfinyl-1-fluoropropane
SMILESCCS(=O)C(C)CF
InChIInChI=1S/C5H11FOS/c1-3-8(7)5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyCDBQHPDTANETOC-UHFFFAOYSA-N
XLogP1.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethylsulfinyl-1-fluoropropane 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 2-ethylsulfinyl-1-fluoropropane?
The IUPAC name of 2-ethylsulfinyl-1-fluoropropane (CID 87155749) is 2-ethylsulfinyl-1-fluoropropane.
What is the SMILES notation for 2-ethylsulfinyl-1-fluoropropane?
The canonical SMILES for 2-ethylsulfinyl-1-fluoropropane is CCS(=O)C(C)CF.
What is the InChIKey of 2-ethylsulfinyl-1-fluoropropane?
The InChIKey is CDBQHPDTANETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FOS/c1-3-8(7)5(2)4-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfinyl-1-fluoropropane?
2-ethylsulfinyl-1-fluoropropane has a molecular weight of 138.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinyl-1-fluoropropane is sourced from PubChem (CID 87155749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).