tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate

C27H37F2NO4Si — CID 170521985

IUPACtert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1COC(F)F
InChIInChI=1S/C27H37F2NO4Si/c1-26(2,3)33-25(31)30-18-21(17-20(30)19-32-24(28)29)34-35(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24H,17-19H2,1-6H3/t20-,21-/m1/s1
InChIKeyIQBDARZLISOKJU-NHCUHLMSSA-N
MW505.68 g/mol
LogP5.18
Rot. Bonds7

About tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate

tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate (PubChem CID 170521985) has the molecular formula C27H37F2NO4Si and a molecular weight of 505.68 g/mol. Its IUPAC name is tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
PubChem CID170521985
Molecular FormulaC27H37F2NO4Si
Molecular Weight505.68 g/mol
Exact Mass505.25
IUPAC Nametert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1COC(F)F
InChIInChI=1S/C27H37F2NO4Si/c1-26(2,3)33-25(31)30-18-21(17-20(30)19-32-24(28)29)34-35(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24H,17-19H2,1-6H3/t20-,21-/m1/s1
InChIKeyIQBDARZLISOKJU-NHCUHLMSSA-N
XLogP5.18
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.68
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate (CID 170521985) is tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1COC(F)F.
What is the InChIKey of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is IQBDARZLISOKJU-NHCUHLMSSA-N. The full InChI is InChI=1S/C27H37F2NO4Si/c1-26(2,3)33-25(31)30-18-21(17-20(30)19-32-24(28)29)34-35(27(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,24H,17-19H2,1-6H3/t20-,21-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 505.68 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 170521985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).