1,1,2,2-tetrafluorobutane-1-sulfonate

C4H5F4O3S- — CID 20734473

IUPAC1,1,2,2-tetrafluorobutane-1-sulfonate
SMILESCCC(F)(F)C(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C4H6F4O3S/c1-2-3(5,6)4(7,8)12(9,10)11/h2H2,1H3,(H,9,10,11)/p-1
InChIKeyVSNRGUXJQPIFRA-UHFFFAOYSA-M
MW209.14 g/mol
LogP1.17
Rot. Bonds3

About 1,1,2,2-tetrafluorobutane-1-sulfonate

1,1,2,2-tetrafluorobutane-1-sulfonate (PubChem CID 20734473) has the molecular formula C4H5F4O3S- and a molecular weight of 209.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluorobutane-1-sulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluorobutane-1-sulfonate
PubChem CID20734473
Molecular FormulaC4H5F4O3S-
Molecular Weight209.14 g/mol
Exact Mass208.99
IUPAC Name1,1,2,2-tetrafluorobutane-1-sulfonate
SMILESCCC(F)(F)C(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C4H6F4O3S/c1-2-3(5,6)4(7,8)12(9,10)11/h2H2,1H3,(H,9,10,11)/p-1
InChIKeyVSNRGUXJQPIFRA-UHFFFAOYSA-M
XLogP1.17
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
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

Potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonate
CID 23692701
Ethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 15666285
1,1,2,2,3,3,4,4,5-Nonafluorohexane-1-sulfonic acid
CID 122480878
3,3,4,4-Tetrafluoropentane-1-sulfonyl chloride
CID 165933089
Ethylzinc nonaflate
CID 164886011
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulfonyl chloride
CID 11077460
1,1,2-Trifluorobutane-1-sulfonic acid
CID 17817337
1,1,2,2-Tetrafluorobutane-1-sulfonic acid
CID 20734474
3,3,4,4,5,5-Hexafluorohexane-1-sulfonate
CID 20734548
1,1,2,2-Tetrafluoropropane-1-sulfonic acid
CID 21946946
1,1,1-Trifluoro-2-(trifluoromethyl)butane-2-sulfonic acid
CID 21946948
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-sulfonic acid
CID 21946958

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluorobutane-1-sulfonate?
The IUPAC name of 1,1,2,2-tetrafluorobutane-1-sulfonate (CID 20734473) is 1,1,2,2-tetrafluorobutane-1-sulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluorobutane-1-sulfonate?
The canonical SMILES for 1,1,2,2-tetrafluorobutane-1-sulfonate is CCC(F)(F)C(F)(F)S(=O)(=O)[O-].
What is the InChIKey of 1,1,2,2-tetrafluorobutane-1-sulfonate?
The InChIKey is VSNRGUXJQPIFRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6F4O3S/c1-2-3(5,6)4(7,8)12(9,10)11/h2H2,1H3,(H,9,10,11)/p-1.
What are the key properties of 1,1,2,2-tetrafluorobutane-1-sulfonate?
1,1,2,2-tetrafluorobutane-1-sulfonate has a molecular weight of 209.14 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluorobutane-1-sulfonate is sourced from PubChem (CID 20734473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).