potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

C4HF8KO4S — CID 141152926

IUPACpotassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)[C@@H](F)OC(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C4H2F8O4S.K/c5-1(2(6,7)17(13,14)15)16-4(11,12)3(8,9)10;/h1H,(H,13,14,15);/q;+1/p-1/t1-;/m0./s1
InChIKeyVNRSMDFCJQLUIR-FPRLAITGSA-M
MW336.20 g/mol
LogP-1.40
Rot. Bonds4

About potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate

potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (PubChem CID 141152926) has the molecular formula C4HF8KO4S and a molecular weight of 336.20 g/mol. Its IUPAC name is potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.

Molecular Properties

Compound Namepotassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
PubChem CID141152926
Molecular FormulaC4HF8KO4S
Molecular Weight336.20 g/mol
Exact Mass335.91
IUPAC Namepotassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)[C@@H](F)OC(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C4H2F8O4S.K/c5-1(2(6,7)17(13,14)15)16-4(11,12)3(8,9)10;/h1H,(H,13,14,15);/q;+1/p-1/t1-;/m0./s1
InChIKeyVNRSMDFCJQLUIR-FPRLAITGSA-M
XLogP-1.40
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate;triphenylphosphanium
CID 159148591
1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate;triphenylsulfanium
CID 86609524
phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
CID 87619719
1-methyl-1H-imidazol-1-ium;1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 143274476
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
1,1,2,3,3-pentafluoropropane-1-sulfonate
CID 58298540
2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfonylethanol
CID 139483924
1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
fluoromethanetrisulfonate
CID 59641509
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate
CID 87397454
bismuth tris(2-cyano-1,1,2-trifluoroethanesulfonate)
CID 173339741

Frequently Asked Questions

What is the IUPAC name of potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The IUPAC name of potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate (CID 141152926) is potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate.
What is the SMILES notation for potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The canonical SMILES for potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is O=S(=O)([O-])C(F)(F)[C@@H](F)OC(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
The InChIKey is VNRSMDFCJQLUIR-FPRLAITGSA-M. The full InChI is InChI=1S/C4H2F8O4S.K/c5-1(2(6,7)17(13,14)15)16-4(11,12)3(8,9)10;/h1H,(H,13,14,15);/q;+1/p-1/t1-;/m0./s1.
What are the key properties of potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate?
potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate has a molecular weight of 336.20 g/mol, XLogP of -1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate is sourced from PubChem (CID 141152926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).