(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate

C12H10F8O3S — CID 20811136

IUPAC(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate
SMILESC=CS(=O)(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C12H10F8O3S/c1-2-24(21,22)23-7-4-5-3-6(7)9(14)8(5,13)10(15,16)12(19,20)11(9,17)18/h2,5-7H,1,3-4H2
InChIKeyHTISPVMFZOUJND-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.22
Rot. Bonds3

About (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate

(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate (PubChem CID 20811136) has the molecular formula C12H10F8O3S and a molecular weight of 386.26 g/mol. Its IUPAC name is (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate.

Molecular Properties

Compound Name(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate
PubChem CID20811136
Molecular FormulaC12H10F8O3S
Molecular Weight386.26 g/mol
Exact Mass386.02
IUPAC Name(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate
SMILESC=CS(=O)(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F
InChIInChI=1S/C12H10F8O3S/c1-2-24(21,22)23-7-4-5-3-6(7)9(14)8(5,13)10(15,16)12(19,20)11(9,17)18/h2,5-7H,1,3-4H2
InChIKeyHTISPVMFZOUJND-UHFFFAOYSA-N
XLogP3.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate with MolForge

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Related Compounds

(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) butane-2-sulfonate
CID 20811133
[5-(1,1,2,2-Tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl] methanesulfonate
CID 58435996

Frequently Asked Questions

What is the IUPAC name of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate?
The IUPAC name of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate (CID 20811136) is (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate.
What is the SMILES notation for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate?
The canonical SMILES for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate is C=CS(=O)(=O)OC1CC2CC1C1(F)C(F)(F)C(F)(F)C(F)(F)C21F.
What is the InChIKey of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate?
The InChIKey is HTISPVMFZOUJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F8O3S/c1-2-24(21,22)23-7-4-5-3-6(7)9(14)8(5,13)10(15,16)12(19,20)11(9,17)18/h2,5-7H,1,3-4H2.
What are the key properties of (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate?
(2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate has a molecular weight of 386.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl) ethenesulfonate is sourced from PubChem (CID 20811136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).