ethyl 2-(3-fluoropropylsulfinyl)acetate

C7H13FO3S — CID 123318799

IUPACethyl 2-(3-fluoropropylsulfinyl)acetate
SMILESCCOC(=O)CS(=O)CCCF
InChIInChI=1S/C7H13FO3S/c1-2-11-7(9)6-12(10)5-3-4-8/h2-6H2,1H3
InChIKeyDAVAZBPXFMTZCU-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.66
Rot. Bonds6

About ethyl 2-(3-fluoropropylsulfinyl)acetate

ethyl 2-(3-fluoropropylsulfinyl)acetate (PubChem CID 123318799) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is ethyl 2-(3-fluoropropylsulfinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoropropylsulfinyl)acetate
PubChem CID123318799
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Nameethyl 2-(3-fluoropropylsulfinyl)acetate
SMILESCCOC(=O)CS(=O)CCCF
InChIInChI=1S/C7H13FO3S/c1-2-11-7(9)6-12(10)5-3-4-8/h2-6H2,1H3
InChIKeyDAVAZBPXFMTZCU-UHFFFAOYSA-N
XLogP0.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3-fluoropropylsulfinyl)acetate 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 ethyl 2-(3-fluoropropylsulfinyl)acetate?
The IUPAC name of ethyl 2-(3-fluoropropylsulfinyl)acetate (CID 123318799) is ethyl 2-(3-fluoropropylsulfinyl)acetate.
What is the SMILES notation for ethyl 2-(3-fluoropropylsulfinyl)acetate?
The canonical SMILES for ethyl 2-(3-fluoropropylsulfinyl)acetate is CCOC(=O)CS(=O)CCCF.
What is the InChIKey of ethyl 2-(3-fluoropropylsulfinyl)acetate?
The InChIKey is DAVAZBPXFMTZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c1-2-11-7(9)6-12(10)5-3-4-8/h2-6H2,1H3.
What are the key properties of ethyl 2-(3-fluoropropylsulfinyl)acetate?
ethyl 2-(3-fluoropropylsulfinyl)acetate has a molecular weight of 196.24 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoropropylsulfinyl)acetate is sourced from PubChem (CID 123318799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).