[(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate

C15H22F3NO4Si — CID 10642591

IUPAC[(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate
SMILESCOC(=O)[C@H]([NH3+])CC[Si](C)(C)c1ccccc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C13H21NO2Si.C2HF3O2/c1-16-13(15)12(14)9-10-17(2,3)11-7-5-4-6-8-11;3-2(4,5)1(6)7/h4-8,12H,9-10,14H2,1-3H3;(H,6,7)/t12-;/m1./s1
InChIKeyFMKWGXCSOWHNRS-UTONKHPSSA-N
MW365.42 g/mol
LogP0.07
Rot. Bonds5

About [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate

[(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate (PubChem CID 10642591) has the molecular formula C15H22F3NO4Si and a molecular weight of 365.42 g/mol. Its IUPAC name is [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate
PubChem CID10642591
Molecular FormulaC15H22F3NO4Si
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC Name[(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate
SMILESCOC(=O)[C@H]([NH3+])CC[Si](C)(C)c1ccccc1.O=C([O-])C(F)(F)F
InChIInChI=1S/C13H21NO2Si.C2HF3O2/c1-16-13(15)12(14)9-10-17(2,3)11-7-5-4-6-8-11;3-2(4,5)1(6)7/h4-8,12H,9-10,14H2,1-3H3;(H,6,7)/t12-;/m1./s1
InChIKeyFMKWGXCSOWHNRS-UTONKHPSSA-N
XLogP0.07
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate?
The IUPAC name of [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate (CID 10642591) is [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate.
What is the SMILES notation for [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate?
The canonical SMILES for [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate is COC(=O)[C@H]([NH3+])CC[Si](C)(C)c1ccccc1.O=C([O-])C(F)(F)F.
What is the InChIKey of [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate?
The InChIKey is FMKWGXCSOWHNRS-UTONKHPSSA-N. The full InChI is InChI=1S/C13H21NO2Si.C2HF3O2/c1-16-13(15)12(14)9-10-17(2,3)11-7-5-4-6-8-11;3-2(4,5)1(6)7/h4-8,12H,9-10,14H2,1-3H3;(H,6,7)/t12-;/m1./s1.
What are the key properties of [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate?
[(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate has a molecular weight of 365.42 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[dimethyl(phenyl)silyl]-1-methoxy-1-oxobutan-2-yl]azanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 10642591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).