tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C16H28F3NO3Si — CID 131749004

IUPACtert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(O[Si](C)(C)C)(C(F)(F)F)C2
InChIInChI=1S/C16H28F3NO3Si/c1-14(2,3)22-13(21)20-11-7-8-12(20)10-15(9-11,16(17,18)19)23-24(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyYMJXYBXIILCLJQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP4.70
Rot. Bonds2

About tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 131749004) has the molecular formula C16H28F3NO3Si and a molecular weight of 367.48 g/mol. Its IUPAC name is tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID131749004
Molecular FormulaC16H28F3NO3Si
Molecular Weight367.48 g/mol
Exact Mass367.18
IUPAC Nametert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(O[Si](C)(C)C)(C(F)(F)F)C2
InChIInChI=1S/C16H28F3NO3Si/c1-14(2,3)22-13(21)20-11-7-8-12(20)10-15(9-11,16(17,18)19)23-24(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyYMJXYBXIILCLJQ-UHFFFAOYSA-N
XLogP4.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 131749004) is tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(O[Si](C)(C)C)(C(F)(F)F)C2.
What is the InChIKey of tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is YMJXYBXIILCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO3Si/c1-14(2,3)22-13(21)20-11-7-8-12(20)10-15(9-11,16(17,18)19)23-24(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 367.48 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(trifluoromethyl)-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 131749004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).