tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate

C17H32F3NO3Si — CID 85342238

IUPACtert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)(F)F)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32F3NO3Si/c1-15(2,3)24-14(22)21-10-12(17(18,19)20)9-13(21)11-23-25(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3
InChIKeyVDLNXCVRDOMWRQ-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.20
Rot. Bonds3

About tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate

tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate (PubChem CID 85342238) has the molecular formula C17H32F3NO3Si and a molecular weight of 383.53 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
PubChem CID85342238
Molecular FormulaC17H32F3NO3Si
Molecular Weight383.53 g/mol
Exact Mass383.21
IUPAC Nametert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(F)(F)F)CC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32F3NO3Si/c1-15(2,3)24-14(22)21-10-12(17(18,19)20)9-13(21)11-23-25(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3
InChIKeyVDLNXCVRDOMWRQ-UHFFFAOYSA-N
XLogP5.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.20
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 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate (CID 85342238) is tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(F)(F)F)CC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
The InChIKey is VDLNXCVRDOMWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3NO3Si/c1-15(2,3)24-14(22)21-10-12(17(18,19)20)9-13(21)11-23-25(7,8)16(4,5)6/h12-13H,9-11H2,1-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate has a molecular weight of 383.53 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(trifluoromethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 85342238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).