2,3-dimethoxypropane-1-sulfonyl fluoride

C5H11FO4S — CID 164663687

IUPAC2,3-dimethoxypropane-1-sulfonyl fluoride
SMILESCOCC(CS(=O)(=O)F)OC
InChIInChI=1S/C5H11FO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3
InChIKeyJWRDYNMJIQMCJE-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.05
Rot. Bonds5

About 2,3-dimethoxypropane-1-sulfonyl fluoride

2,3-dimethoxypropane-1-sulfonyl fluoride (PubChem CID 164663687) has the molecular formula C5H11FO4S and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,3-dimethoxypropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,3-dimethoxypropane-1-sulfonyl fluoride
PubChem CID164663687
Molecular FormulaC5H11FO4S
Molecular Weight186.20 g/mol
Exact Mass186.04
IUPAC Name2,3-dimethoxypropane-1-sulfonyl fluoride
SMILESCOCC(CS(=O)(=O)F)OC
InChIInChI=1S/C5H11FO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3
InChIKeyJWRDYNMJIQMCJE-UHFFFAOYSA-N
XLogP-0.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethoxypropane-1-sulfonyl fluoride 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 2,3-dimethoxypropane-1-sulfonyl fluoride?
The IUPAC name of 2,3-dimethoxypropane-1-sulfonyl fluoride (CID 164663687) is 2,3-dimethoxypropane-1-sulfonyl fluoride.
What is the SMILES notation for 2,3-dimethoxypropane-1-sulfonyl fluoride?
The canonical SMILES for 2,3-dimethoxypropane-1-sulfonyl fluoride is COCC(CS(=O)(=O)F)OC.
What is the InChIKey of 2,3-dimethoxypropane-1-sulfonyl fluoride?
The InChIKey is JWRDYNMJIQMCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethoxypropane-1-sulfonyl fluoride?
2,3-dimethoxypropane-1-sulfonyl fluoride has a molecular weight of 186.20 g/mol, XLogP of -0.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropane-1-sulfonyl fluoride is sourced from PubChem (CID 164663687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).