4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid

C7H8F3NO4S — CID 79216881

IUPAC4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO4S/c8-7(9,10)16(14,15)11-5-2-1-4(3-5)6(12)13/h1-2,4-5,11H,3H2,(H,12,13)
InChIKeyHAPCRUKKBUYAOL-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.45
Rot. Bonds3

About 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid

4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216881) has the molecular formula C7H8F3NO4S and a molecular weight of 259.21 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216881
Molecular FormulaC7H8F3NO4S
Molecular Weight259.21 g/mol
Exact Mass259.01
IUPAC Name4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NS(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C7H8F3NO4S/c8-7(9,10)16(14,15)11-5-2-1-4(3-5)6(12)13/h1-2,4-5,11H,3H2,(H,12,13)
InChIKeyHAPCRUKKBUYAOL-UHFFFAOYSA-N
XLogP0.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216881) is 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NS(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HAPCRUKKBUYAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO4S/c8-7(9,10)16(14,15)11-5-2-1-4(3-5)6(12)13/h1-2,4-5,11H,3H2,(H,12,13).
What are the key properties of 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid?
4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 259.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).