2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

C7H11F3NO6S2- — CID 59046675

IUPAC2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide
SMILESC=COCCOCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F3NO6S2/c1-2-16-3-4-17-5-6-18(12,13)11-19(14,15)7(8,9)10/h2H,1,3-6H2/q-1
InChIKeyNSESDCCAQXVIDC-UHFFFAOYSA-N
MW326.29 g/mol
LogP0.72
Rot. Bonds9

About 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide

2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 59046675) has the molecular formula C7H11F3NO6S2- and a molecular weight of 326.29 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID59046675
Molecular FormulaC7H11F3NO6S2-
Molecular Weight326.29 g/mol
Exact Mass326.00
IUPAC Name2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide
SMILESC=COCCOCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F3NO6S2/c1-2-16-3-4-17-5-6-18(12,13)11-19(14,15)7(8,9)10/h2H,1,3-6H2/q-1
InChIKeyNSESDCCAQXVIDC-UHFFFAOYSA-N
XLogP0.72
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide (CID 59046675) is 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide is C=COCCOCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is NSESDCCAQXVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3NO6S2/c1-2-16-3-4-17-5-6-18(12,13)11-19(14,15)7(8,9)10/h2H,1,3-6H2/q-1.
What are the key properties of 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide?
2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 326.29 g/mol, XLogP of 0.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)ethylsulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).