1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide

C5H10F3NO6S2 — CID 159793134

IUPAC1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide
SMILESCOCCOCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO6S2/c1-14-2-3-15-4-16(10,11)9-17(12,13)5(6,7)8/h9H,2-4H2,1H3
InChIKeyVVWJFINIWDODCR-UHFFFAOYSA-N
MW301.26 g/mol
LogP-0.62
Rot. Bonds7

About 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide (PubChem CID 159793134) has the molecular formula C5H10F3NO6S2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide
PubChem CID159793134
Molecular FormulaC5H10F3NO6S2
Molecular Weight301.26 g/mol
Exact Mass300.99
IUPAC Name1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide
SMILESCOCCOCS(=O)(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO6S2/c1-14-2-3-15-4-16(10,11)9-17(12,13)5(6,7)8/h9H,2-4H2,1H3
InChIKeyVVWJFINIWDODCR-UHFFFAOYSA-N
XLogP-0.62
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide (CID 159793134) is 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide is COCCOCS(=O)(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide?
The InChIKey is VVWJFINIWDODCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO6S2/c1-14-2-3-15-4-16(10,11)9-17(12,13)5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide has a molecular weight of 301.26 g/mol, XLogP of -0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methoxyethoxymethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 159793134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).