[2-(fluorodisulfanyl)phenyl] acetate

C8H7FO2S2 — CID 143562973

IUPAC[2-(fluorodisulfanyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1SSF
InChIInChI=1S/C8H7FO2S2/c1-6(10)11-7-4-2-3-5-8(7)12-13-9/h2-5H,1H3
InChIKeySFDFDQGSMQOAOQ-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.24
Rot. Bonds3

About [2-(fluorodisulfanyl)phenyl] acetate

[2-(fluorodisulfanyl)phenyl] acetate (PubChem CID 143562973) has the molecular formula C8H7FO2S2 and a molecular weight of 218.27 g/mol. Its IUPAC name is [2-(fluorodisulfanyl)phenyl] acetate.

Molecular Properties

Compound Name[2-(fluorodisulfanyl)phenyl] acetate
PubChem CID143562973
Molecular FormulaC8H7FO2S2
Molecular Weight218.27 g/mol
Exact Mass217.99
IUPAC Name[2-(fluorodisulfanyl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1SSF
InChIInChI=1S/C8H7FO2S2/c1-6(10)11-7-4-2-3-5-8(7)12-13-9/h2-5H,1H3
InChIKeySFDFDQGSMQOAOQ-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(fluorodisulfanyl)phenyl] acetate 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 [2-(fluorodisulfanyl)phenyl] acetate?
The IUPAC name of [2-(fluorodisulfanyl)phenyl] acetate (CID 143562973) is [2-(fluorodisulfanyl)phenyl] acetate.
What is the SMILES notation for [2-(fluorodisulfanyl)phenyl] acetate?
The canonical SMILES for [2-(fluorodisulfanyl)phenyl] acetate is CC(=O)Oc1ccccc1SSF.
What is the InChIKey of [2-(fluorodisulfanyl)phenyl] acetate?
The InChIKey is SFDFDQGSMQOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO2S2/c1-6(10)11-7-4-2-3-5-8(7)12-13-9/h2-5H,1H3.
What are the key properties of [2-(fluorodisulfanyl)phenyl] acetate?
[2-(fluorodisulfanyl)phenyl] acetate has a molecular weight of 218.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluorodisulfanyl)phenyl] acetate is sourced from PubChem (CID 143562973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).