Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon

C27H18F9O3Si — CID 6327809

IUPAC—
SMILESO=C(C[Si](CC(=O)c1cccc(C(F)(F)F)c1)CC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H18F9O3Si/c28-25(29,30)19-7-1-4-16(10-19)22(37)13-40(14-23(38)17-5-2-8-20(11-17)26(31,32)33)15-24(39)18-6-3-9-21(12-18)27(34,35)36/h1-12H,13-15H2
InChIKeyFSMCHLJQESOTLY-UHFFFAOYSA-N
MW589.51 g/mol
LogP8.19
Rot. Bonds9

About Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon

Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon (PubChem CID 6327809) has the molecular formula C27H18F9O3Si and a molecular weight of 589.51 g/mol.

Molecular Properties

Compound NameTris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon
PubChem CID6327809
Molecular FormulaC27H18F9O3Si
Molecular Weight589.51 g/mol
Exact Mass589.09
IUPAC Name—
SMILESO=C(C[Si](CC(=O)c1cccc(C(F)(F)F)c1)CC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H18F9O3Si/c28-25(29,30)19-7-1-4-16(10-19)22(37)13-40(14-23(38)17-5-2-8-20(11-17)26(31,32)33)15-24(39)18-6-3-9-21(12-18)27(34,35)36/h1-12H,13-15H2
InChIKeyFSMCHLJQESOTLY-UHFFFAOYSA-N
XLogP8.19
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.51
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon?
The IUPAC name of Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon (CID 6327809) is not available.
What is the SMILES notation for Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon?
The canonical SMILES for Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon is O=C(C[Si](CC(=O)c1cccc(C(F)(F)F)c1)CC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon?
The InChIKey is FSMCHLJQESOTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F9O3Si/c28-25(29,30)19-7-1-4-16(10-19)22(37)13-40(14-23(38)17-5-2-8-20(11-17)26(31,32)33)15-24(39)18-6-3-9-21(12-18)27(34,35)36/h1-12H,13-15H2.
What are the key properties of Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon?
Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon has a molecular weight of 589.51 g/mol, XLogP of 8.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon is sourced from PubChem (CID 6327809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).