1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide

C3H5F4NO3S — CID 12916774

IUPAC1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide
SMILESCOC(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C3H5F4NO3S/c1-11-2(4,5)3(6,7)12(8,9)10/h1H3,(H2,8,9,10)
InChIKeyXJOPMCHKYLDGQV-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.11
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide

1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide (PubChem CID 12916774) has the molecular formula C3H5F4NO3S and a molecular weight of 211.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide
PubChem CID12916774
Molecular FormulaC3H5F4NO3S
Molecular Weight211.14 g/mol
Exact Mass210.99
IUPAC Name1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide
SMILESCOC(F)(F)C(F)(F)S(N)(=O)=O
InChIInChI=1S/C3H5F4NO3S/c1-11-2(4,5)3(6,7)12(8,9)10/h1H3,(H2,8,9,10)
InChIKeyXJOPMCHKYLDGQV-UHFFFAOYSA-N
XLogP0.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide (CID 12916774) is 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide is COC(F)(F)C(F)(F)S(N)(=O)=O.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide?
The InChIKey is XJOPMCHKYLDGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F4NO3S/c1-11-2(4,5)3(6,7)12(8,9)10/h1H3,(H2,8,9,10).
What are the key properties of 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide?
1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide has a molecular weight of 211.14 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-methoxyethanesulfonamide is sourced from PubChem (CID 12916774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).