CID 162568901

C20H22F3NO3Si — CID 162568901

IUPAC—
SMILESCC[Si]c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H22F3NO3Si/c1-3-28-15-6-7-17(26-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)27-12-20(21,22)23/h6-10,13H,3-5,11-12H2,1-2H3
InChIKeyNVBLCVXQWXFMNW-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.55
Rot. Bonds8

About CID 162568901

CID 162568901 (PubChem CID 162568901) has the molecular formula C20H22F3NO3Si and a molecular weight of 409.48 g/mol.

Molecular Properties

Compound NameCID 162568901
PubChem CID162568901
Molecular FormulaC20H22F3NO3Si
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC Name—
SMILESCC[Si]c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1
InChIInChI=1S/C20H22F3NO3Si/c1-3-28-15-6-7-17(26-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)27-12-20(21,22)23/h6-10,13H,3-5,11-12H2,1-2H3
InChIKeyNVBLCVXQWXFMNW-UHFFFAOYSA-N
XLogP3.55
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 162568901 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 162568901?
The IUPAC name of CID 162568901 (CID 162568901) is not available.
What is the SMILES notation for CID 162568901?
The canonical SMILES for CID 162568901 is CC[Si]c1ccc(OCC2CC2)c(-c2cc(OCC(F)(F)F)c(=O)n(C)c2)c1.
What is the InChIKey of CID 162568901?
The InChIKey is NVBLCVXQWXFMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3Si/c1-3-28-15-6-7-17(26-11-13-4-5-13)16(9-15)14-8-18(19(25)24(2)10-14)27-12-20(21,22)23/h6-10,13H,3-5,11-12H2,1-2H3.
What are the key properties of CID 162568901?
CID 162568901 has a molecular weight of 409.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162568901 is sourced from PubChem (CID 162568901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).