3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one

C18H19F3O2Si — CID 12059933

IUPAC3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one
SMILESC[Si](C)(C)OC(C(=O)c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H19F3O2Si/c1-24(2,3)23-17(18(19,20)21,15-12-8-5-9-13-15)16(22)14-10-6-4-7-11-14/h4-13H,1-3H3
InChIKeyGOKSHJCMPTWPJM-UHFFFAOYSA-N
MW352.43 g/mol
LogP5.18
Rot. Bonds5

About 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one

3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one (PubChem CID 12059933) has the molecular formula C18H19F3O2Si and a molecular weight of 352.43 g/mol. Its IUPAC name is 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one
PubChem CID12059933
Molecular FormulaC18H19F3O2Si
Molecular Weight352.43 g/mol
Exact Mass352.11
IUPAC Name3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one
SMILESC[Si](C)(C)OC(C(=O)c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H19F3O2Si/c1-24(2,3)23-17(18(19,20)21,15-12-8-5-9-13-15)16(22)14-10-6-4-7-11-14/h4-13H,1-3H3
InChIKeyGOKSHJCMPTWPJM-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one (CID 12059933) is 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one is C[Si](C)(C)OC(C(=O)c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one?
The InChIKey is GOKSHJCMPTWPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O2Si/c1-24(2,3)23-17(18(19,20)21,15-12-8-5-9-13-15)16(22)14-10-6-4-7-11-14/h4-13H,1-3H3.
What are the key properties of 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one?
3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one has a molecular weight of 352.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1,2-diphenyl-2-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 12059933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).