(2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate

C2BrF5O4S — CID 56587685

IUPAC(2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate
SMILESO=S(=O)(OF)OC(F)(F)C(F)(F)Br
InChIInChI=1S/C2BrF5O4S/c3-1(4,5)2(6,7)11-13(9,10)12-8
InChIKeyBFEWOAYEWJNEAB-UHFFFAOYSA-N
MW294.98 g/mol
LogP1.73
Rot. Bonds4

About (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate

(2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate (PubChem CID 56587685) has the molecular formula C2BrF5O4S and a molecular weight of 294.98 g/mol. Its IUPAC name is (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate.

Molecular Properties

Compound Name(2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate
PubChem CID56587685
Molecular FormulaC2BrF5O4S
Molecular Weight294.98 g/mol
Exact Mass293.86
IUPAC Name(2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate
SMILESO=S(=O)(OF)OC(F)(F)C(F)(F)Br
InChIInChI=1S/C2BrF5O4S/c3-1(4,5)2(6,7)11-13(9,10)12-8
InChIKeyBFEWOAYEWJNEAB-UHFFFAOYSA-N
XLogP1.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.98
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate?
The IUPAC name of (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate (CID 56587685) is (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate.
What is the SMILES notation for (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate?
The canonical SMILES for (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate is O=S(=O)(OF)OC(F)(F)C(F)(F)Br.
What is the InChIKey of (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate?
The InChIKey is BFEWOAYEWJNEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2BrF5O4S/c3-1(4,5)2(6,7)11-13(9,10)12-8.
What are the key properties of (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate?
(2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate has a molecular weight of 294.98 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,1,2,2-tetrafluoroethyl) fluoro sulfate is sourced from PubChem (CID 56587685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).