(2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate

C7H10F3NO5S — CID 162549172

IUPAC(2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate
SMILESCOC1CCC(=O)N1COS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-15-6-3-2-5(12)11(6)4-16-17(13,14)7(8,9)10/h6H,2-4H2,1H3
InChIKeyYNFVTJDLFQMJQM-UHFFFAOYSA-N
MW277.22 g/mol
LogP0.41
Rot. Bonds4

About (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate

(2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate (PubChem CID 162549172) has the molecular formula C7H10F3NO5S and a molecular weight of 277.22 g/mol. Its IUPAC name is (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate.

Molecular Properties

Compound Name(2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate
PubChem CID162549172
Molecular FormulaC7H10F3NO5S
Molecular Weight277.22 g/mol
Exact Mass277.02
IUPAC Name(2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate
SMILESCOC1CCC(=O)N1COS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO5S/c1-15-6-3-2-5(12)11(6)4-16-17(13,14)7(8,9)10/h6H,2-4H2,1H3
InChIKeyYNFVTJDLFQMJQM-UHFFFAOYSA-N
XLogP0.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 50.41
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 (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate?
The IUPAC name of (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate (CID 162549172) is (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate.
What is the SMILES notation for (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate?
The canonical SMILES for (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate is COC1CCC(=O)N1COS(=O)(=O)C(F)(F)F.
What is the InChIKey of (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate?
The InChIKey is YNFVTJDLFQMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO5S/c1-15-6-3-2-5(12)11(6)4-16-17(13,14)7(8,9)10/h6H,2-4H2,1H3.
What are the key properties of (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate?
(2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate has a molecular weight of 277.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-oxopyrrolidin-1-yl)methyl trifluoromethanesulfonate is sourced from PubChem (CID 162549172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).