2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide

C5H4ClF8NO3S — CID 14928168

IUPAC2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C5H4ClF8NO3S/c1-15-19(16,17)5(13,14)4(11,12)18-3(9,10)2(6,7)8/h15H,1H3
InChIKeyQREZMMJKPUPVHT-UHFFFAOYSA-N
MW345.60 g/mol
LogP2.16
Rot. Bonds6

About 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide

2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide (PubChem CID 14928168) has the molecular formula C5H4ClF8NO3S and a molecular weight of 345.60 g/mol. Its IUPAC name is 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide
PubChem CID14928168
Molecular FormulaC5H4ClF8NO3S
Molecular Weight345.60 g/mol
Exact Mass344.95
IUPAC Name2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide
SMILESCNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl
InChIInChI=1S/C5H4ClF8NO3S/c1-15-19(16,17)5(13,14)4(11,12)18-3(9,10)2(6,7)8/h15H,1H3
InChIKeyQREZMMJKPUPVHT-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide 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 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide?
The IUPAC name of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide (CID 14928168) is 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide.
What is the SMILES notation for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide?
The canonical SMILES for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide is CNS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)Cl.
What is the InChIKey of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide?
The InChIKey is QREZMMJKPUPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF8NO3S/c1-15-19(16,17)5(13,14)4(11,12)18-3(9,10)2(6,7)8/h15H,1H3.
What are the key properties of 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide?
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide has a molecular weight of 345.60 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-N-methylethanesulfonamide is sourced from PubChem (CID 14928168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).