CID 162358751

C5H10F2O3SSi — CID 162358751

IUPAC—
SMILESCS(=O)(=O)OCCC[Si]C(F)F
InChIInChI=1S/C5H10F2O3SSi/c1-11(8,9)10-3-2-4-12-5(6)7/h5H,2-4H2,1H3
InChIKeyGVLGSAFMZOTGQG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.70
Rot. Bonds6

About CID 162358751

CID 162358751 (PubChem CID 162358751) has the molecular formula C5H10F2O3SSi and a molecular weight of 216.28 g/mol.

Molecular Properties

Compound NameCID 162358751
PubChem CID162358751
Molecular FormulaC5H10F2O3SSi
Molecular Weight216.28 g/mol
Exact Mass216.01
IUPAC Name—
SMILESCS(=O)(=O)OCCC[Si]C(F)F
InChIInChI=1S/C5H10F2O3SSi/c1-11(8,9)10-3-2-4-12-5(6)7/h5H,2-4H2,1H3
InChIKeyGVLGSAFMZOTGQG-UHFFFAOYSA-N
XLogP0.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 162358751 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 CID 162358751?
The IUPAC name of CID 162358751 (CID 162358751) is not available.
What is the SMILES notation for CID 162358751?
The canonical SMILES for CID 162358751 is CS(=O)(=O)OCCC[Si]C(F)F.
What is the InChIKey of CID 162358751?
The InChIKey is GVLGSAFMZOTGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O3SSi/c1-11(8,9)10-3-2-4-12-5(6)7/h5H,2-4H2,1H3.
What are the key properties of CID 162358751?
CID 162358751 has a molecular weight of 216.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162358751 is sourced from PubChem (CID 162358751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).