tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate

C25H36FNO3Si — CID 175247666

IUPACtert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
SMILESCC(F)(CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36FNO3Si/c1-23(2,3)30-22(28)27-18-25(7,26)19-29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17H,18-19H2,1-7H3,(H,27,28)
InChIKeyAAUCQEKGLKEMHO-UHFFFAOYSA-N
MW445.65 g/mol
LogP4.82
Rot. Bonds7

About tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate

tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate (PubChem CID 175247666) has the molecular formula C25H36FNO3Si and a molecular weight of 445.65 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
PubChem CID175247666
Molecular FormulaC25H36FNO3Si
Molecular Weight445.65 g/mol
Exact Mass445.24
IUPAC Nametert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate
SMILESCC(F)(CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H36FNO3Si/c1-23(2,3)30-22(28)27-18-25(7,26)19-29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17H,18-19H2,1-7H3,(H,27,28)
InChIKeyAAUCQEKGLKEMHO-UHFFFAOYSA-N
XLogP4.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
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 N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate (CID 175247666) is tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate is CC(F)(CNC(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate?
The InChIKey is AAUCQEKGLKEMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNO3Si/c1-23(2,3)30-22(28)27-18-25(7,26)19-29-31(24(4,5)6,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17H,18-19H2,1-7H3,(H,27,28).
What are the key properties of tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate?
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate has a molecular weight of 445.65 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropyl]carbamate is sourced from PubChem (CID 175247666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).