tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate

C27H50FNO4Si2 — CID 67270664

IUPACtert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(F)c1ccccc1
InChIInChI=1S/C27H50FNO4Si2/c1-25(2,3)32-24(30)29-23(22(28)20-17-15-14-16-18-20)21(33-35(12,13)27(7,8)9)19-31-34(10,11)26(4,5)6/h14-18,21-23H,19H2,1-13H3,(H,29,30)
InChIKeySIUXALKHTQKBCP-UHFFFAOYSA-N
MW527.87 g/mol
LogP8.00
Rot. Bonds9

About tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate

tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate (PubChem CID 67270664) has the molecular formula C27H50FNO4Si2 and a molecular weight of 527.87 g/mol. Its IUPAC name is tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate
PubChem CID67270664
Molecular FormulaC27H50FNO4Si2
Molecular Weight527.87 g/mol
Exact Mass527.33
IUPAC Nametert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(F)c1ccccc1
InChIInChI=1S/C27H50FNO4Si2/c1-25(2,3)32-24(30)29-23(22(28)20-17-15-14-16-18-20)21(33-35(12,13)27(7,8)9)19-31-34(10,11)26(4,5)6/h14-18,21-23H,19H2,1-13H3,(H,29,30)
InChIKeySIUXALKHTQKBCP-UHFFFAOYSA-N
XLogP8.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.87
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate (CID 67270664) is tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(F)c1ccccc1.
What is the InChIKey of tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate?
The InChIKey is SIUXALKHTQKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50FNO4Si2/c1-25(2,3)32-24(30)29-23(22(28)20-17-15-14-16-18-20)21(33-35(12,13)27(7,8)9)19-31-34(10,11)26(4,5)6/h14-18,21-23H,19H2,1-13H3,(H,29,30).
What are the key properties of tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate?
tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate has a molecular weight of 527.87 g/mol, XLogP of 8.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-fluoro-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 67270664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).