2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid

C9H10F4O3S — CID 59409320

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C9H10F4O3S/c10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,14,15,16)
InChIKeyUYHWQMWTPQPHHJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid

2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 59409320) has the molecular formula C9H10F4O3S and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID59409320
Molecular FormulaC9H10F4O3S
Molecular Weight274.24 g/mol
Exact Mass274.03
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C1CC2C=CC1C2
InChIInChI=1S/C9H10F4O3S/c10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,14,15,16)
InChIKeyUYHWQMWTPQPHHJ-UHFFFAOYSA-N
XLogP2.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid (CID 59409320) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is UYHWQMWTPQPHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O3S/c10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,14,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid?
2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 274.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 59409320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).