fluoro 2-methylpropane-2-sulfonate

C4H9FO3S — CID 140545367

IUPACfluoro 2-methylpropane-2-sulfonate
SMILESCC(C)(C)S(=O)(=O)OF
InChIInChI=1S/C4H9FO3S/c1-4(2,3)9(6,7)8-5/h1-3H3
InChIKeyGYLBNTIEJDRQFV-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.02
Rot. Bonds1

About fluoro 2-methylpropane-2-sulfonate

fluoro 2-methylpropane-2-sulfonate (PubChem CID 140545367) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is fluoro 2-methylpropane-2-sulfonate.

Molecular Properties

Compound Namefluoro 2-methylpropane-2-sulfonate
PubChem CID140545367
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Namefluoro 2-methylpropane-2-sulfonate
SMILESCC(C)(C)S(=O)(=O)OF
InChIInChI=1S/C4H9FO3S/c1-4(2,3)9(6,7)8-5/h1-3H3
InChIKeyGYLBNTIEJDRQFV-UHFFFAOYSA-N
XLogP1.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze fluoro 2-methylpropane-2-sulfonate 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 fluoro 2-methylpropane-2-sulfonate?
The IUPAC name of fluoro 2-methylpropane-2-sulfonate (CID 140545367) is fluoro 2-methylpropane-2-sulfonate.
What is the SMILES notation for fluoro 2-methylpropane-2-sulfonate?
The canonical SMILES for fluoro 2-methylpropane-2-sulfonate is CC(C)(C)S(=O)(=O)OF.
What is the InChIKey of fluoro 2-methylpropane-2-sulfonate?
The InChIKey is GYLBNTIEJDRQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-4(2,3)9(6,7)8-5/h1-3H3.
What are the key properties of fluoro 2-methylpropane-2-sulfonate?
fluoro 2-methylpropane-2-sulfonate has a molecular weight of 156.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methylpropane-2-sulfonate is sourced from PubChem (CID 140545367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).