2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide

C8H13F6NO6S2 — CID 146201187

IUPAC2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide
SMILESO=S(=O)(CCOCC(F)(F)F)NS(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H13F6NO6S2/c9-7(10,11)5-20-1-3-22(16,17)15-23(18,19)4-2-21-6-8(12,13)14/h15H,1-6H2
InChIKeySZPYUNVYMMZEEH-UHFFFAOYSA-N
MW397.32 g/mol
LogP0.39
Rot. Bonds10

About 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide

2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide (PubChem CID 146201187) has the molecular formula C8H13F6NO6S2 and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide
PubChem CID146201187
Molecular FormulaC8H13F6NO6S2
Molecular Weight397.32 g/mol
Exact Mass397.01
IUPAC Name2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide
SMILESO=S(=O)(CCOCC(F)(F)F)NS(=O)(=O)CCOCC(F)(F)F
InChIInChI=1S/C8H13F6NO6S2/c9-7(10,11)5-20-1-3-22(16,17)15-23(18,19)4-2-21-6-8(12,13)14/h15H,1-6H2
InChIKeySZPYUNVYMMZEEH-UHFFFAOYSA-N
XLogP0.39
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]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 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide (CID 146201187) is 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide is O=S(=O)(CCOCC(F)(F)F)NS(=O)(=O)CCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide?
The InChIKey is SZPYUNVYMMZEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO6S2/c9-7(10,11)5-20-1-3-22(16,17)15-23(18,19)4-2-21-6-8(12,13)14/h15H,1-6H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide?
2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide has a molecular weight of 397.32 g/mol, XLogP of 0.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-N-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]ethanesulfonamide is sourced from PubChem (CID 146201187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).