1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide

C4H3F8NO4S2 — CID 59804614

IUPAC1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C4H3F8NO4S2/c5-1(6)3(9,10)18(14,15)13-19(16,17)4(11,12)2(7)8/h1-2,13H
InChIKeyIVLFDZSFSFZDBR-UHFFFAOYSA-N
MW345.19 g/mol
LogP0.95
Rot. Bonds6

About 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide

1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide (PubChem CID 59804614) has the molecular formula C4H3F8NO4S2 and a molecular weight of 345.19 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
PubChem CID59804614
Molecular FormulaC4H3F8NO4S2
Molecular Weight345.19 g/mol
Exact Mass344.94
IUPAC Name1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C4H3F8NO4S2/c5-1(6)3(9,10)18(14,15)13-19(16,17)4(11,12)2(7)8/h1-2,13H
InChIKeyIVLFDZSFSFZDBR-UHFFFAOYSA-N
XLogP0.95
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide (CID 59804614) is 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is IVLFDZSFSFZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F8NO4S2/c5-1(6)3(9,10)18(14,15)13-19(16,17)4(11,12)2(7)8/h1-2,13H.
What are the key properties of 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide?
1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 59804614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).