2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid

C6H11F4NO4S — CID 118030888

IUPAC2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESCN(C)CCOC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C6H11F4NO4S/c1-11(2)3-4-15-5(7,8)6(9,10)16(12,13)14/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyQYCFCCUOLPPLJG-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.64
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid

2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 118030888) has the molecular formula C6H11F4NO4S and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID118030888
Molecular FormulaC6H11F4NO4S
Molecular Weight269.22 g/mol
Exact Mass269.03
IUPAC Name2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESCN(C)CCOC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C6H11F4NO4S/c1-11(2)3-4-15-5(7,8)6(9,10)16(12,13)14/h3-4H2,1-2H3,(H,12,13,14)
InChIKeyQYCFCCUOLPPLJG-UHFFFAOYSA-N
XLogP0.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid (CID 118030888) is 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid is CN(C)CCOC(F)(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is QYCFCCUOLPPLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4NO4S/c1-11(2)3-4-15-5(7,8)6(9,10)16(12,13)14/h3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid?
2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 269.22 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 118030888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).