1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

C4H3F8NO3S — CID 10924456

IUPAC1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4H3F8NO3S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H2,13,14,15)
InChIKeyBXNBERKHNCFFGQ-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.34
Rot. Bonds5

About 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (PubChem CID 10924456) has the molecular formula C4H3F8NO3S and a molecular weight of 297.12 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
PubChem CID10924456
Molecular FormulaC4H3F8NO3S
Molecular Weight297.12 g/mol
Exact Mass296.97
IUPAC Name1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C4H3F8NO3S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H2,13,14,15)
InChIKeyBXNBERKHNCFFGQ-UHFFFAOYSA-N
XLogP1.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonyl Fluoride
CID 10881108
N,N-dichloro-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 11013997
1,1,2,2-Tetrafluoro-2-(trifluoromethoxy)ethanesulfonamide
CID 53716574
1,2,2,2-Tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
CID 54257019
2-(1,1,2,2-Tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid anion
CID 58667676
1,1,2-Trifluoro-2-(trifluoromethoxy)ethanesulfonamide
CID 87571200
CID 131845292
CID 131845292
1,1,2,2-Tetrafluoro-2-(1,1,2-trifluoroethoxy)ethanesulfonyl fluoride
CID 164843738
1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonyl azide
CID 12101867
1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonyl chloride
CID 13141609
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide
CID 50851123
1,1,2,2-tetrafluoro-N-sulfinyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 101670712

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide (CID 10924456) is 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
The InChIKey is BXNBERKHNCFFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F8NO3S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H,(H2,13,14,15).
What are the key properties of 1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide?
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide has a molecular weight of 297.12 g/mol, XLogP of 1.34, 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-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide is sourced from PubChem (CID 10924456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).