CID 175179621

C10H20F3O3SSi — CID 175179621

IUPAC—
SMILESC=CCOS(=O)(=O)C(F)(F)F.C[Si](C)C(C)(C)C
InChIInChI=1S/C6H15Si.C4H5F3O3S/c1-6(2,3)7(4)5;1-2-3-10-11(8,9)4(5,6)7/h1-5H3;2H,1,3H2
InChIKeyNQPNJAIVMFZRMD-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.58
Rot. Bonds3

About CID 175179621

CID 175179621 (PubChem CID 175179621) has the molecular formula C10H20F3O3SSi and a molecular weight of 305.41 g/mol.

Molecular Properties

Compound NameCID 175179621
PubChem CID175179621
Molecular FormulaC10H20F3O3SSi
Molecular Weight305.41 g/mol
Exact Mass305.09
IUPAC Name—
SMILESC=CCOS(=O)(=O)C(F)(F)F.C[Si](C)C(C)(C)C
InChIInChI=1S/C6H15Si.C4H5F3O3S/c1-6(2,3)7(4)5;1-2-3-10-11(8,9)4(5,6)7/h1-5H3;2H,1,3H2
InChIKeyNQPNJAIVMFZRMD-UHFFFAOYSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 175179621 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 175179621?
The IUPAC name of CID 175179621 (CID 175179621) is not available.
What is the SMILES notation for CID 175179621?
The canonical SMILES for CID 175179621 is C=CCOS(=O)(=O)C(F)(F)F.C[Si](C)C(C)(C)C.
What is the InChIKey of CID 175179621?
The InChIKey is NQPNJAIVMFZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Si.C4H5F3O3S/c1-6(2,3)7(4)5;1-2-3-10-11(8,9)4(5,6)7/h1-5H3;2H,1,3H2.
What are the key properties of CID 175179621?
CID 175179621 has a molecular weight of 305.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175179621 is sourced from PubChem (CID 175179621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).