tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate

C16H23F3O3Si — CID 24763925

IUPACtert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate
SMILESCC(C)(C)OC(=O)[C@](O[Si](C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H23F3O3Si/c1-14(2,3)21-13(20)15(16(17,18)19,22-23(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3/t15-/m1/s1
InChIKeyYHFDUOGVZYRIRG-OAHLLOKOSA-N
MW348.44 g/mol
LogP4.64
Rot. Bonds4

About tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate

tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate (PubChem CID 24763925) has the molecular formula C16H23F3O3Si and a molecular weight of 348.44 g/mol. Its IUPAC name is tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate
PubChem CID24763925
Molecular FormulaC16H23F3O3Si
Molecular Weight348.44 g/mol
Exact Mass348.14
IUPAC Nametert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate
SMILESCC(C)(C)OC(=O)[C@](O[Si](C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H23F3O3Si/c1-14(2,3)21-13(20)15(16(17,18)19,22-23(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3/t15-/m1/s1
InChIKeyYHFDUOGVZYRIRG-OAHLLOKOSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl alpha-hydroxy-alpha-(trifluoromethyl)phenylacetate
CID 14790773
Acetic acid, 2-(o-tolyl)-2-(triethylsiloxy)-, ethyl ester
CID 43989
Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester
CID 55437
Acetic acid, 2-(o-tolyl)-2-(triisobutylsiloxy)-, ethyl ester
CID 55441
Ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035
(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Anhydride
CID 14984591
Ethyl 2-hydroxy-2-phenylnonanoate
CID 11265918
Octyl hydroxyphenylpropionate
CID 101372901
(+/-)-2-Phenylbutyric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91710344
Methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 604963
methyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 13817640
Methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate?
The IUPAC name of tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate (CID 24763925) is tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate.
What is the SMILES notation for tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate?
The canonical SMILES for tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate is CC(C)(C)OC(=O)[C@](O[Si](C)(C)C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate?
The InChIKey is YHFDUOGVZYRIRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F3O3Si/c1-14(2,3)21-13(20)15(16(17,18)19,22-23(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate?
tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate has a molecular weight of 348.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3,3,3-trifluoro-2-phenyl-2-trimethylsilyloxypropanoate is sourced from PubChem (CID 24763925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).