2-bromo-1,1,2,2-tetrafluoroethanesulfinate

C2BrF4O2S- — CID 91807241

IUPAC2-bromo-1,1,2,2-tetrafluoroethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)Br
InChIInChI=1S/C2HBrF4O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9)/p-1
InChIKeyAYZCBQGMNRGTCO-UHFFFAOYSA-M
MW243.98 g/mol
LogP1.45
Rot. Bonds2

About 2-bromo-1,1,2,2-tetrafluoroethanesulfinate

2-bromo-1,1,2,2-tetrafluoroethanesulfinate (PubChem CID 91807241) has the molecular formula C2BrF4O2S- and a molecular weight of 243.98 g/mol. Its IUPAC name is 2-bromo-1,1,2,2-tetrafluoroethanesulfinate.

Molecular Properties

Compound Name2-bromo-1,1,2,2-tetrafluoroethanesulfinate
PubChem CID91807241
Molecular FormulaC2BrF4O2S-
Molecular Weight243.98 g/mol
Exact Mass242.87
IUPAC Name2-bromo-1,1,2,2-tetrafluoroethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)Br
InChIInChI=1S/C2HBrF4O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9)/p-1
InChIKeyAYZCBQGMNRGTCO-UHFFFAOYSA-M
XLogP1.45
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.98
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1,2,2-tetrafluoroethanesulfinate?
The IUPAC name of 2-bromo-1,1,2,2-tetrafluoroethanesulfinate (CID 91807241) is 2-bromo-1,1,2,2-tetrafluoroethanesulfinate.
What is the SMILES notation for 2-bromo-1,1,2,2-tetrafluoroethanesulfinate?
The canonical SMILES for 2-bromo-1,1,2,2-tetrafluoroethanesulfinate is O=S([O-])C(F)(F)C(F)(F)Br.
What is the InChIKey of 2-bromo-1,1,2,2-tetrafluoroethanesulfinate?
The InChIKey is AYZCBQGMNRGTCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HBrF4O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9)/p-1.
What are the key properties of 2-bromo-1,1,2,2-tetrafluoroethanesulfinate?
2-bromo-1,1,2,2-tetrafluoroethanesulfinate has a molecular weight of 243.98 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1,2,2-tetrafluoroethanesulfinate is sourced from PubChem (CID 91807241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).