trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate

C12H14F3NO3Si — CID 91719281

IUPACtrimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO3Si/c1-20(2,3)19-10(17)8-6-4-5-7-9(8)16-11(18)12(13,14)15/h4-7H,1-3H3,(H,16,18)
InChIKeyAOIBALIHOKJKLI-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.18
Rot. Bonds3

About trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate

trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate (PubChem CID 91719281) has the molecular formula C12H14F3NO3Si and a molecular weight of 305.33 g/mol. Its IUPAC name is trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
PubChem CID91719281
Molecular FormulaC12H14F3NO3Si
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC Nametrimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate
SMILESC[Si](C)(C)OC(=O)c1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C12H14F3NO3Si/c1-20(2,3)19-10(17)8-6-4-5-7-9(8)16-11(18)12(13,14)15/h4-7H,1-3H3,(H,16,18)
InChIKeyAOIBALIHOKJKLI-UHFFFAOYSA-N
XLogP3.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(dimethyl)silyl] 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzoate
CID 91744543
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
2,2,2-trifluoro-N-[2-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2-methylpropanoyl]phenyl]acetamide
CID 134392766
methyl 2-(2,2-dichloropropanoylamino)benzoate
CID 10660048
trimethylsilyl 2-trimethylsilylbenzoate
CID 14439390
trimethylsilyl 2-(2,6-dichloro-4-methylanilino)benzoate
CID 618075
2,2,2-trifluoro-N-[2-[(E)-3-(furan-2-yl)prop-2-enoyl]phenyl]acetamide
CID 141410053
2,2,2-trifluoro-N-(2-prop-1-ynylphenyl)acetamide
CID 58838477
2,2,2-trifluoro-N-(2-methylsulfonylphenyl)acetamide
CID 60707701
ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)benzoate
CID 5086660

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate?
The IUPAC name of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate (CID 91719281) is trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate.
What is the SMILES notation for trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate?
The canonical SMILES for trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate is C[Si](C)(C)OC(=O)c1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate?
The InChIKey is AOIBALIHOKJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3Si/c1-20(2,3)19-10(17)8-6-4-5-7-9(8)16-11(18)12(13,14)15/h4-7H,1-3H3,(H,16,18).
What are the key properties of trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate?
trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate has a molecular weight of 305.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[(2,2,2-trifluoroacetyl)amino]benzoate is sourced from PubChem (CID 91719281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).