1-fluoroethenyl trifluoromethanesulfonate

C3H2F4O3S — CID 87156219

IUPAC1-fluoroethenyl trifluoromethanesulfonate
SMILESC=C(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H2F4O3S/c1-2(4)10-11(8,9)3(5,6)7/h1H2
InChIKeyXLJIUAKZJZFOSK-UHFFFAOYSA-N
MW194.10 g/mol
LogP1.29
Rot. Bonds2

About 1-fluoroethenyl trifluoromethanesulfonate

1-fluoroethenyl trifluoromethanesulfonate (PubChem CID 87156219) has the molecular formula C3H2F4O3S and a molecular weight of 194.10 g/mol. Its IUPAC name is 1-fluoroethenyl trifluoromethanesulfonate.

Molecular Properties

Compound Name1-fluoroethenyl trifluoromethanesulfonate
PubChem CID87156219
Molecular FormulaC3H2F4O3S
Molecular Weight194.10 g/mol
Exact Mass193.97
IUPAC Name1-fluoroethenyl trifluoromethanesulfonate
SMILESC=C(F)OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H2F4O3S/c1-2(4)10-11(8,9)3(5,6)7/h1H2
InChIKeyXLJIUAKZJZFOSK-UHFFFAOYSA-N
XLogP1.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-fluoroethenyl trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethenyl trifluoromethanesulfonate?
The IUPAC name of 1-fluoroethenyl trifluoromethanesulfonate (CID 87156219) is 1-fluoroethenyl trifluoromethanesulfonate.
What is the SMILES notation for 1-fluoroethenyl trifluoromethanesulfonate?
The canonical SMILES for 1-fluoroethenyl trifluoromethanesulfonate is C=C(F)OS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-fluoroethenyl trifluoromethanesulfonate?
The InChIKey is XLJIUAKZJZFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O3S/c1-2(4)10-11(8,9)3(5,6)7/h1H2.
What are the key properties of 1-fluoroethenyl trifluoromethanesulfonate?
1-fluoroethenyl trifluoromethanesulfonate has a molecular weight of 194.10 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethenyl trifluoromethanesulfonate is sourced from PubChem (CID 87156219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).