[(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate

C5H5F3O5S — CID 86628935

IUPAC[(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate
SMILESO=C1OCC[C@@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h3H,1-2H2/t3-/m0/s1
InChIKeyQOEKAXKDLQCASA-VKHMYHEASA-N
MW234.15 g/mol
LogP0.17
Rot. Bonds2

About [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate

[(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate (PubChem CID 86628935) has the molecular formula C5H5F3O5S and a molecular weight of 234.15 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate
PubChem CID86628935
Molecular FormulaC5H5F3O5S
Molecular Weight234.15 g/mol
Exact Mass233.98
IUPAC Name[(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate
SMILESO=C1OCC[C@@H]1OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h3H,1-2H2/t3-/m0/s1
InChIKeyQOEKAXKDLQCASA-VKHMYHEASA-N
XLogP0.17
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate (CID 86628935) is [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate is O=C1OCC[C@@H]1OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate?
The InChIKey is QOEKAXKDLQCASA-VKHMYHEASA-N. The full InChI is InChI=1S/C5H5F3O5S/c6-5(7,8)14(10,11)13-3-1-2-12-4(3)9/h3H,1-2H2/t3-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate?
[(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate has a molecular weight of 234.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] trifluoromethanesulfonate is sourced from PubChem (CID 86628935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).