1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone

C10H11F3OSi — CID 156693698

IUPAC1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone
SMILESC[Si](C)(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3OSi/c1-15(2,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyJSBKOVSSWNCYIZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds2

About 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone

1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone (PubChem CID 156693698) has the molecular formula C10H11F3OSi and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone
PubChem CID156693698
Molecular FormulaC10H11F3OSi
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone
SMILESC[Si](C)(C(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3OSi/c1-15(2,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyJSBKOVSSWNCYIZ-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone (CID 156693698) is 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone is C[Si](C)(C(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone?
The InChIKey is JSBKOVSSWNCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OSi/c1-15(2,9(14)10(11,12)13)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone?
1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone has a molecular weight of 232.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethyl(phenyl)silyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 156693698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).