(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine

C5H8F3N3O5S — CID 162208789

IUPAC(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine
SMILESNN.O=C1CC(OS(=O)(=O)C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H4F3NO5S.H4N2/c6-5(7,8)15(12,13)14-2-1-3(10)9-4(2)11;1-2/h2H,1H2,(H,9,10,11);1-2H2
InChIKeyZSODLUWWIQVJLZ-UHFFFAOYSA-N
MW279.20 g/mol
LogP-1.91
Rot. Bonds2

About (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine

(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine (PubChem CID 162208789) has the molecular formula C5H8F3N3O5S and a molecular weight of 279.20 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine
PubChem CID162208789
Molecular FormulaC5H8F3N3O5S
Molecular Weight279.20 g/mol
Exact Mass279.01
IUPAC Name(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine
SMILESNN.O=C1CC(OS(=O)(=O)C(F)(F)F)C(=O)N1
InChIInChI=1S/C5H4F3NO5S.H4N2/c6-5(7,8)15(12,13)14-2-1-3(10)9-4(2)11;1-2/h2H,1H2,(H,9,10,11);1-2H2
InChIKeyZSODLUWWIQVJLZ-UHFFFAOYSA-N
XLogP-1.91
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'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 (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine (CID 162208789) is (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine is NN.O=C1CC(OS(=O)(=O)C(F)(F)F)C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine?
The InChIKey is ZSODLUWWIQVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO5S.H4N2/c6-5(7,8)15(12,13)14-2-1-3(10)9-4(2)11;1-2/h2H,1H2,(H,9,10,11);1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine?
(2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine has a molecular weight of 279.20 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) trifluoromethanesulfonate;hydrazine is sourced from PubChem (CID 162208789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).