N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide

C16H23BrF3NO2Si — CID 22637041

IUPACN-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)OCCN(C(=O)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrF3NO2Si/c1-15(2,3)24(4,5)23-11-10-21(14(22)16(18,19)20)13-8-6-12(17)7-9-13/h6-9H,10-11H2,1-5H3
InChIKeyWEWTXQDPFGMJEC-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.37
Rot. Bonds5

About N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide

N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 22637041) has the molecular formula C16H23BrF3NO2Si and a molecular weight of 426.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide
PubChem CID22637041
Molecular FormulaC16H23BrF3NO2Si
Molecular Weight426.35 g/mol
Exact Mass425.06
IUPAC NameN-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)OCCN(C(=O)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrF3NO2Si/c1-15(2,3)24(4,5)23-11-10-21(14(22)16(18,19)20)13-8-6-12(17)7-9-13/h6-9H,10-11H2,1-5H3
InChIKeyWEWTXQDPFGMJEC-UHFFFAOYSA-N
XLogP5.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide (CID 22637041) is N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)OCCN(C(=O)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is WEWTXQDPFGMJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrF3NO2Si/c1-15(2,3)24(4,5)23-11-10-21(14(22)16(18,19)20)13-8-6-12(17)7-9-13/h6-9H,10-11H2,1-5H3.
What are the key properties of N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide?
N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 426.35 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22637041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).