methyl 3-fluorosulfonylthiophene-2-carboxylate

C6H5FO4S2 — CID 100912269

IUPACmethyl 3-fluorosulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)F
InChIInChI=1S/C6H5FO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKeyYLQWEWBWWLVJOT-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.19
Rot. Bonds2

About methyl 3-fluorosulfonylthiophene-2-carboxylate

methyl 3-fluorosulfonylthiophene-2-carboxylate (PubChem CID 100912269) has the molecular formula C6H5FO4S2 and a molecular weight of 224.23 g/mol. Its IUPAC name is methyl 3-fluorosulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluorosulfonylthiophene-2-carboxylate
PubChem CID100912269
Molecular FormulaC6H5FO4S2
Molecular Weight224.23 g/mol
Exact Mass223.96
IUPAC Namemethyl 3-fluorosulfonylthiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)F
InChIInChI=1S/C6H5FO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKeyYLQWEWBWWLVJOT-UHFFFAOYSA-N
XLogP1.19
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorosulfonylthiophene-2-carboxylate?
The IUPAC name of methyl 3-fluorosulfonylthiophene-2-carboxylate (CID 100912269) is methyl 3-fluorosulfonylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-fluorosulfonylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-fluorosulfonylthiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)F.
What is the InChIKey of methyl 3-fluorosulfonylthiophene-2-carboxylate?
The InChIKey is YLQWEWBWWLVJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3.
What are the key properties of methyl 3-fluorosulfonylthiophene-2-carboxylate?
methyl 3-fluorosulfonylthiophene-2-carboxylate has a molecular weight of 224.23 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorosulfonylthiophene-2-carboxylate is sourced from PubChem (CID 100912269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).