2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium

C7H13F3NO7S2+ — CID 153362927

IUPAC2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium
SMILESCCOCCOCCS(=O)(=O)[N+](=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO7S2/c1-2-17-3-4-18-5-6-19(13,14)11(12)20(15,16)7(8,9)10/h2-6H2,1H3/q+1
InChIKeyWTHIYOYYDHEKTO-UHFFFAOYSA-N
MW344.31 g/mol
LogP-0.00
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium

2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium (PubChem CID 153362927) has the molecular formula C7H13F3NO7S2+ and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium
PubChem CID153362927
Molecular FormulaC7H13F3NO7S2+
Molecular Weight344.31 g/mol
Exact Mass344.01
IUPAC Name2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium
SMILESCCOCCOCCS(=O)(=O)[N+](=O)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H13F3NO7S2/c1-2-17-3-4-18-5-6-19(13,14)11(12)20(15,16)7(8,9)10/h2-6H2,1H3/q+1
InChIKeyWTHIYOYYDHEKTO-UHFFFAOYSA-N
XLogP-0.00
TPSA106.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium?
The IUPAC name of 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium (CID 153362927) is 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium?
The canonical SMILES for 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium is CCOCCOCCS(=O)(=O)[N+](=O)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium?
The InChIKey is WTHIYOYYDHEKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3NO7S2/c1-2-17-3-4-18-5-6-19(13,14)11(12)20(15,16)7(8,9)10/h2-6H2,1H3/q+1.
What are the key properties of 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium?
2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium has a molecular weight of 344.31 g/mol, XLogP of -0.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethylsulfonyl-oxo-(trifluoromethylsulfonyl)azanium is sourced from PubChem (CID 153362927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).