CID 162568904

C19H22F3INO3Si — CID 162568904

IUPAC—
SMILESCC[Si](I)Cc1ccc(OCC(F)(F)F)c(-c2cc(C)c(=O)n(CCO)c2)c1
InChIInChI=1S/C19H22F3INO3Si/c1-3-28(23)11-14-4-5-17(27-12-19(20,21)22)16(9-14)15-8-13(2)18(26)24(10-15)6-7-25/h4-5,8-10,25H,3,6-7,11-12H2,1-2H3
InChIKeyIPLSHRSDEBKAIE-UHFFFAOYSA-N
MW524.37 g/mol
LogP4.29
Rot. Bonds8

About CID 162568904

CID 162568904 (PubChem CID 162568904) has the molecular formula C19H22F3INO3Si and a molecular weight of 524.37 g/mol.

Molecular Properties

Compound NameCID 162568904
PubChem CID162568904
Molecular FormulaC19H22F3INO3Si
Molecular Weight524.37 g/mol
Exact Mass524.04
IUPAC Name—
SMILESCC[Si](I)Cc1ccc(OCC(F)(F)F)c(-c2cc(C)c(=O)n(CCO)c2)c1
InChIInChI=1S/C19H22F3INO3Si/c1-3-28(23)11-14-4-5-17(27-12-19(20,21)22)16(9-14)15-8-13(2)18(26)24(10-15)6-7-25/h4-5,8-10,25H,3,6-7,11-12H2,1-2H3
InChIKeyIPLSHRSDEBKAIE-UHFFFAOYSA-N
XLogP4.29
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162568904?
The IUPAC name of CID 162568904 (CID 162568904) is not available.
What is the SMILES notation for CID 162568904?
The canonical SMILES for CID 162568904 is CC[Si](I)Cc1ccc(OCC(F)(F)F)c(-c2cc(C)c(=O)n(CCO)c2)c1.
What is the InChIKey of CID 162568904?
The InChIKey is IPLSHRSDEBKAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3INO3Si/c1-3-28(23)11-14-4-5-17(27-12-19(20,21)22)16(9-14)15-8-13(2)18(26)24(10-15)6-7-25/h4-5,8-10,25H,3,6-7,11-12H2,1-2H3.
What are the key properties of CID 162568904?
CID 162568904 has a molecular weight of 524.37 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162568904 is sourced from PubChem (CID 162568904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).