(diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate

C5H10F5NO4S2 — CID 87338647

IUPAC(diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate
SMILESCCN(CC)S(=O)(F)(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F5NO4S2/c1-3-11(4-2)17(9,10,14)15-16(12,13)5(6,7)8/h3-4H2,1-2H3
InChIKeyGWPOOQMMNWSBDK-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.61
Rot. Bonds5

About (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate

(diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate (PubChem CID 87338647) has the molecular formula C5H10F5NO4S2 and a molecular weight of 307.26 g/mol. Its IUPAC name is (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate
PubChem CID87338647
Molecular FormulaC5H10F5NO4S2
Molecular Weight307.26 g/mol
Exact Mass307.00
IUPAC Name(diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate
SMILESCCN(CC)S(=O)(F)(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F5NO4S2/c1-3-11(4-2)17(9,10,14)15-16(12,13)5(6,7)8/h3-4H2,1-2H3
InChIKeyGWPOOQMMNWSBDK-UHFFFAOYSA-N
XLogP1.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate?
The IUPAC name of (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate (CID 87338647) is (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate.
What is the SMILES notation for (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate?
The canonical SMILES for (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate is CCN(CC)S(=O)(F)(F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate?
The InChIKey is GWPOOQMMNWSBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F5NO4S2/c1-3-11(4-2)17(9,10,14)15-16(12,13)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate?
(diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate has a molecular weight of 307.26 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diethylamino-difluoro-oxo-λ6-sulfanyl) trifluoromethanesulfonate is sourced from PubChem (CID 87338647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).