N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide

C6H6F8INO3S — CID 11826494

IUPACN-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C6H6F8INO3S/c1-2-16-20(17,18)6(13,14)5(11,12)19-4(9,10)3(7,8)15/h16H,2H2,1H3
InChIKeyPPLFGDXJBBDTEQ-UHFFFAOYSA-N
MW451.07 g/mol
LogP2.75
Rot. Bonds7

About N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide

N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide (PubChem CID 11826494) has the molecular formula C6H6F8INO3S and a molecular weight of 451.07 g/mol. Its IUPAC name is N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
PubChem CID11826494
Molecular FormulaC6H6F8INO3S
Molecular Weight451.07 g/mol
Exact Mass450.90
IUPAC NameN-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C6H6F8INO3S/c1-2-16-20(17,18)6(13,14)5(11,12)19-4(9,10)3(7,8)15/h16H,2H2,1H3
InChIKeyPPLFGDXJBBDTEQ-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.07
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)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 N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The IUPAC name of N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide (CID 11826494) is N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide is CCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I.
What is the InChIKey of N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
The InChIKey is PPLFGDXJBBDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8INO3S/c1-2-16-20(17,18)6(13,14)5(11,12)19-4(9,10)3(7,8)15/h16H,2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide?
N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide has a molecular weight of 451.07 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonamide is sourced from PubChem (CID 11826494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).