ethyl fluoro-(4-methylphenyl)methanesulfonate

C10H13FO3S — CID 14150178

IUPACethyl fluoro-(4-methylphenyl)methanesulfonate
SMILESCCOS(=O)(=O)C(F)c1ccc(C)cc1
InChIInChI=1S/C10H13FO3S/c1-3-14-15(12,13)10(11)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyNGOFSONOVRYHQU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.33
Rot. Bonds4

About ethyl fluoro-(4-methylphenyl)methanesulfonate

ethyl fluoro-(4-methylphenyl)methanesulfonate (PubChem CID 14150178) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl fluoro-(4-methylphenyl)methanesulfonate.

Molecular Properties

Compound Nameethyl fluoro-(4-methylphenyl)methanesulfonate
PubChem CID14150178
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Nameethyl fluoro-(4-methylphenyl)methanesulfonate
SMILESCCOS(=O)(=O)C(F)c1ccc(C)cc1
InChIInChI=1S/C10H13FO3S/c1-3-14-15(12,13)10(11)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyNGOFSONOVRYHQU-UHFFFAOYSA-N
XLogP2.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
alpha-(Methylsulphonyl)toluene
CID 76562
Potassium Xylenesulfonate
CID 23689308
4-Methylphenyl-difluoromethanesulfonamide
CID 44405177
((1E)-2-(Methylsulfonyl)ethenyl)benzene
CID 5369327
2-(4-Methylphenyl)ethene-1-sulfonyl fluoride
CID 121553281
Ethanol, 2,2,2-trifluoro-, 1-(4-methylbenzenesulfonate)
CID 67942
Fluoro(phenyl)methanesulfonamide
CID 11355950
3-Phenylpropane-1-sulfonyl fluoride
CID 25017076
4-Phenylbutane-1-sulfonyl fluoride
CID 71452049
(3-Fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
Ethenesulfonyl fluoride, 2-phenyl-
CID 5357730

Frequently Asked Questions

What is the IUPAC name of ethyl fluoro-(4-methylphenyl)methanesulfonate?
The IUPAC name of ethyl fluoro-(4-methylphenyl)methanesulfonate (CID 14150178) is ethyl fluoro-(4-methylphenyl)methanesulfonate.
What is the SMILES notation for ethyl fluoro-(4-methylphenyl)methanesulfonate?
The canonical SMILES for ethyl fluoro-(4-methylphenyl)methanesulfonate is CCOS(=O)(=O)C(F)c1ccc(C)cc1.
What is the InChIKey of ethyl fluoro-(4-methylphenyl)methanesulfonate?
The InChIKey is NGOFSONOVRYHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c1-3-14-15(12,13)10(11)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl fluoro-(4-methylphenyl)methanesulfonate?
ethyl fluoro-(4-methylphenyl)methanesulfonate has a molecular weight of 232.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl fluoro-(4-methylphenyl)methanesulfonate is sourced from PubChem (CID 14150178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).