benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate

C28H34FNO3Si — CID 168947840

IUPACbenzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate
SMILESCC(C)(C)[Si](OCCC(F)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34FNO3Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-20-19-24(29)21-30-27(31)32-22-23-13-7-4-8-14-23/h4-18,24H,19-22H2,1-3H3,(H,30,31)
InChIKeySSTQQFFLADVBOT-UHFFFAOYSA-N
MW479.67 g/mol
LogP5.22
Rot. Bonds10

About benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate

benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate (PubChem CID 168947840) has the molecular formula C28H34FNO3Si and a molecular weight of 479.67 g/mol. Its IUPAC name is benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate
PubChem CID168947840
Molecular FormulaC28H34FNO3Si
Molecular Weight479.67 g/mol
Exact Mass479.23
IUPAC Namebenzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate
SMILESCC(C)(C)[Si](OCCC(F)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34FNO3Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-20-19-24(29)21-30-27(31)32-22-23-13-7-4-8-14-23/h4-18,24H,19-22H2,1-3H3,(H,30,31)
InChIKeySSTQQFFLADVBOT-UHFFFAOYSA-N
XLogP5.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 55.22
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 benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate?
The IUPAC name of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate (CID 168947840) is benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate.
What is the SMILES notation for benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate?
The canonical SMILES for benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate is CC(C)(C)[Si](OCCC(F)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate?
The InChIKey is SSTQQFFLADVBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FNO3Si/c1-28(2,3)34(25-15-9-5-10-16-25,26-17-11-6-12-18-26)33-20-19-24(29)21-30-27(31)32-22-23-13-7-4-8-14-23/h4-18,24H,19-22H2,1-3H3,(H,30,31).
What are the key properties of benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate?
benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate has a molecular weight of 479.67 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]carbamate is sourced from PubChem (CID 168947840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).