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

C4H8F3NO4S — CID 82714936

IUPAC1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide
SMILESCOCCONS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO4S/c1-11-2-3-12-8-13(9,10)4(5,6)7/h8H,2-3H2,1H3
InChIKeyWGXHQCKLJGRNPY-UHFFFAOYSA-N
MW223.17 g/mol
LogP0.00
Rot. Bonds5

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

1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide (PubChem CID 82714936) has the molecular formula C4H8F3NO4S and a molecular weight of 223.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide
PubChem CID82714936
Molecular FormulaC4H8F3NO4S
Molecular Weight223.17 g/mol
Exact Mass223.01
IUPAC Name1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide
SMILESCOCCONS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO4S/c1-11-2-3-12-8-13(9,10)4(5,6)7/h8H,2-3H2,1H3
InChIKeyWGXHQCKLJGRNPY-UHFFFAOYSA-N
XLogP0.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide (CID 82714936) is 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide is COCCONS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide?
The InChIKey is WGXHQCKLJGRNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO4S/c1-11-2-3-12-8-13(9,10)4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide?
1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide has a molecular weight of 223.17 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methoxyethoxy)methanesulfonamide is sourced from PubChem (CID 82714936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).