1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate

C3F7O4S- — CID 20758408

IUPAC1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C3HF7O4S/c4-1(5,14-3(8,9)10)2(6,7)15(11,12)13/h(H,11,12,13)/p-1
InChIKeyKVQPTMRJUGXQHT-UHFFFAOYSA-M
MW265.08 g/mol
LogP1.25
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate

1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate (PubChem CID 20758408) has the molecular formula C3F7O4S- and a molecular weight of 265.08 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate
PubChem CID20758408
Molecular FormulaC3F7O4S-
Molecular Weight265.08 g/mol
Exact Mass264.94
IUPAC Name1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C3HF7O4S/c4-1(5,14-3(8,9)10)2(6,7)15(11,12)13/h(H,11,12,13)/p-1
InChIKeyKVQPTMRJUGXQHT-UHFFFAOYSA-M
XLogP1.25
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.08
LogP ≤ 51.25
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'}

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Related Compounds

2-(7-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptoxy)-1,1,2,2-tetrafluoroethanesulfonate
CID 162679373
sodium 1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethanesulfonate
CID 175755990
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonyl fluoride
CID 165365650
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane-1,8-disulfonate
CID 58716102
potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonate
CID 58716100
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonic acid
CID 139597355
potassium 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,3,5,6-tetrafluorophenyl)sulfonylethoxy]ethanesulfonate
CID 140813341
oxovanadium(2+);bis(1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,3,3,4,4-heptafluorobutan-2-yloxy)propan-2-yl]oxyethanesulfonate)
CID 139211536
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
CID 88642392

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate (CID 20758408) is 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate?
The InChIKey is KVQPTMRJUGXQHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF7O4S/c4-1(5,14-3(8,9)10)2(6,7)15(11,12)13/h(H,11,12,13)/p-1.
What are the key properties of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate?
1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate has a molecular weight of 265.08 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate is sourced from PubChem (CID 20758408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).