1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid

C3HF7O4S — CID 20758409

IUPAC1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid
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)
InChIKeyKVQPTMRJUGXQHT-UHFFFAOYSA-N
MW266.09 g/mol
LogP1.60
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid

1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid (PubChem CID 20758409) has the molecular formula C3HF7O4S and a molecular weight of 266.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid
PubChem CID20758409
Molecular FormulaC3HF7O4S
Molecular Weight266.09 g/mol
Exact Mass265.95
IUPAC Name1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid
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)
InChIKeyKVQPTMRJUGXQHT-UHFFFAOYSA-N
XLogP1.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Perfluoro(2-ethoxyethane)sulfonic acid
CID 2776108
PFSA-ether; C6HF13O5S
CID 22568736
1,1,2,2-Tetrafluoroethene;1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
CID 44153897
OPFLSA_ii n=4
CID 101454725
OPFLSA_i n=3
CID 139595640
4-(Perfluoromethoxy)perfluorobutane sulfonic acid
CID 139596091
OPFLSA_i n=2
CID 139596680
Oxa-PFSAs(n3)
CID 139597355
1,1,2,2-Tetrafluoro-2-(1,2,2-trifluorovinyloxy)ethanesulfonic acid
CID 11781540
Perfluorohexane ether sulfonate
CID 12865309
2-(Trifluoromethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid anion
CID 20758408
Tetrafluoro-2-hydroxyethanesulfonic acid
CID 18552303

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid (CID 20758409) is 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid 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)ethanesulfonic acid?
The InChIKey is KVQPTMRJUGXQHT-UHFFFAOYSA-N. 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).
What are the key properties of 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid has a molecular weight of 266.09 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonic acid is sourced from PubChem (CID 20758409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).