1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide

C5H8F5NO3S — CID 129294898

IUPAC1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO3S/c1-14-3-2-11-15(12,13)5(9,10)4(6,7)8/h11H,2-3H2,1H3
InChIKeyXZIFDTQVSFSVHT-UHFFFAOYSA-N
MW257.18 g/mol
LogP0.71
Rot. Bonds5

About 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide (PubChem CID 129294898) has the molecular formula C5H8F5NO3S and a molecular weight of 257.18 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide
PubChem CID129294898
Molecular FormulaC5H8F5NO3S
Molecular Weight257.18 g/mol
Exact Mass257.01
IUPAC Name1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide
SMILESCOCCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO3S/c1-14-3-2-11-15(12,13)5(9,10)4(6,7)8/h11H,2-3H2,1H3
InChIKeyXZIFDTQVSFSVHT-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide (CID 129294898) is 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide is COCCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide?
The InChIKey is XZIFDTQVSFSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO3S/c1-14-3-2-11-15(12,13)5(9,10)4(6,7)8/h11H,2-3H2,1H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide has a molecular weight of 257.18 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-(2-methoxyethyl)ethanesulfonamide is sourced from PubChem (CID 129294898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).