N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide

C15H22F3NO2Si — CID 10759076

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H22F3NO2Si/c1-14(2,3)22(5,6)21-12-10-8-7-9-11(12)19(4)13(20)15(16,17)18/h7-10H,1-6H3
InChIKeyADJWXWQBIQIALT-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.60
Rot. Bonds3

About N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 10759076) has the molecular formula C15H22F3NO2Si and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID10759076
Molecular FormulaC15H22F3NO2Si
Molecular Weight333.43 g/mol
Exact Mass333.14
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H22F3NO2Si/c1-14(2,3)22(5,6)21-12-10-8-7-9-11(12)19(4)13(20)15(16,17)18/h7-10H,1-6H3
InChIKeyADJWXWQBIQIALT-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.60
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-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide (CID 10759076) is N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1ccccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is ADJWXWQBIQIALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2Si/c1-14(2,3)22(5,6)21-12-10-8-7-9-11(12)19(4)13(20)15(16,17)18/h7-10H,1-6H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 333.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 10759076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).