fluoro (4-methylphenyl)methanesulfonate

C8H9FO3S — CID 174842294

IUPACfluoro (4-methylphenyl)methanesulfonate
SMILESCc1ccc(CS(=O)(=O)OF)cc1
InChIInChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)6-13(10,11)12-9/h2-5H,6H2,1H3
InChIKeyBMFWFHYYYMNGPJ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.73
Rot. Bonds3

About fluoro (4-methylphenyl)methanesulfonate

fluoro (4-methylphenyl)methanesulfonate (PubChem CID 174842294) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is fluoro (4-methylphenyl)methanesulfonate.

Molecular Properties

Compound Namefluoro (4-methylphenyl)methanesulfonate
PubChem CID174842294
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Namefluoro (4-methylphenyl)methanesulfonate
SMILESCc1ccc(CS(=O)(=O)OF)cc1
InChIInChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)6-13(10,11)12-9/h2-5H,6H2,1H3
InChIKeyBMFWFHYYYMNGPJ-UHFFFAOYSA-N
XLogP1.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze fluoro (4-methylphenyl)methanesulfonate 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 (4-methylphenyl)methanesulfonate?
The IUPAC name of fluoro (4-methylphenyl)methanesulfonate (CID 174842294) is fluoro (4-methylphenyl)methanesulfonate.
What is the SMILES notation for fluoro (4-methylphenyl)methanesulfonate?
The canonical SMILES for fluoro (4-methylphenyl)methanesulfonate is Cc1ccc(CS(=O)(=O)OF)cc1.
What is the InChIKey of fluoro (4-methylphenyl)methanesulfonate?
The InChIKey is BMFWFHYYYMNGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)6-13(10,11)12-9/h2-5H,6H2,1H3.
What are the key properties of fluoro (4-methylphenyl)methanesulfonate?
fluoro (4-methylphenyl)methanesulfonate has a molecular weight of 204.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (4-methylphenyl)methanesulfonate is sourced from PubChem (CID 174842294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).