(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate

C5H3F3O5S — CID 15883473

IUPAC(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate
SMILESO=C1OCC=C1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H3F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h1H,2H2
InChIKeyDUFOYHKHMDCIHL-UHFFFAOYSA-N
MW232.13 g/mol
LogP0.29
Rot. Bonds2

About (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate

(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate (PubChem CID 15883473) has the molecular formula C5H3F3O5S and a molecular weight of 232.13 g/mol. Its IUPAC name is (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate
PubChem CID15883473
Molecular FormulaC5H3F3O5S
Molecular Weight232.13 g/mol
Exact Mass231.97
IUPAC Name(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate
SMILESO=C1OCC=C1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H3F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h1H,2H2
InChIKeyDUFOYHKHMDCIHL-UHFFFAOYSA-N
XLogP0.29
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Trifluoromethanesulfonyloxy)pyran-2-one
CID 50901598
4-(Trifluoromethylsulfonyloxy)-2,5-dihydrofuran-2-one
CID 11075265
ethyl (2E)-2-[5-oxo-4-(trifluoromethylsulfonyloxy)furan-2-ylidene]acetate
CID 11438464
methyl (2Z)-2-[5-oxo-4-(trifluoromethylsulfonyloxy)furan-2-ylidene]acetate
CID 21580091
ethyl (2Z)-2-[5-oxo-4-(trifluoromethylsulfonyloxy)furan-2-ylidene]acetate
CID 134932423
[(2R)-2-ethyl-5-oxo-2H-furan-4-yl] trifluoromethanesulfonate
CID 60096036
4-Fluoro-2,5-dihydro-5-oxofuran-3-yl trifluoromethanesulfonate
CID 139270126
methyl (2E)-2-[5-oxo-4-(trifluoromethylsulfonyloxy)furan-2-ylidene]acetate
CID 177410193
(5-oxo-2H-furan-4-yl) methanesulfonate
CID 11171298

Frequently Asked Questions

What is the IUPAC name of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?
The IUPAC name of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate (CID 15883473) is (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate.
What is the SMILES notation for (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?
The canonical SMILES for (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate is O=C1OCC=C1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?
The InChIKey is DUFOYHKHMDCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h1H,2H2.
What are the key properties of (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate?
(5-oxo-2H-furan-4-yl) trifluoromethanesulfonate has a molecular weight of 232.13 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-2H-furan-4-yl) trifluoromethanesulfonate is sourced from PubChem (CID 15883473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).