tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid

C25H36FNO3Si — CID 67006202

IUPACtert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid
SMILESCC(C)(C)N(Cc1cc(F)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1)C(=O)O
InChIInChI=1S/C25H36FNO3Si/c1-24(2,3)27(23(28)29)16-19-13-21(15-22(26)14-19)20-11-9-10-18(12-20)17-30-31(7,8)25(4,5)6/h9-15H,16-17H2,1-8H3,(H,28,29)
InChIKeyIIGUAWUXQRSQLM-UHFFFAOYSA-N
MW445.65 g/mol
LogP7.29
Rot. Bonds6

About tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid

tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid (PubChem CID 67006202) has the molecular formula C25H36FNO3Si and a molecular weight of 445.65 g/mol. Its IUPAC name is tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid
PubChem CID67006202
Molecular FormulaC25H36FNO3Si
Molecular Weight445.65 g/mol
Exact Mass445.24
IUPAC Nametert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid
SMILESCC(C)(C)N(Cc1cc(F)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1)C(=O)O
InChIInChI=1S/C25H36FNO3Si/c1-24(2,3)27(23(28)29)16-19-13-21(15-22(26)14-19)20-11-9-10-18(12-20)17-30-31(7,8)25(4,5)6/h9-15H,16-17H2,1-8H3,(H,28,29)
InChIKeyIIGUAWUXQRSQLM-UHFFFAOYSA-N
XLogP7.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid 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-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid (CID 67006202) is tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid is CC(C)(C)N(Cc1cc(F)cc(-c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1)C(=O)O.
What is the InChIKey of tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid?
The InChIKey is IIGUAWUXQRSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FNO3Si/c1-24(2,3)27(23(28)29)16-19-13-21(15-22(26)14-19)20-11-9-10-18(12-20)17-30-31(7,8)25(4,5)6/h9-15H,16-17H2,1-8H3,(H,28,29).
What are the key properties of tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid?
tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid has a molecular weight of 445.65 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorophenyl]methyl]carbamic acid is sourced from PubChem (CID 67006202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).