N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide

C17H28F3NO3Si2 — CID 6428502

IUPACN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C17H28F3NO3Si2/c1-21(16(22)17(18,19)20)11-10-13-8-9-14(23-25(2,3)4)15(12-13)24-26(5,6)7/h8-9,12H,10-11H2,1-7H3
InChIKeySLQQLJGJUQZDSV-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.68
Rot. Bonds7

About N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 6428502) has the molecular formula C17H28F3NO3Si2 and a molecular weight of 407.58 g/mol. Its IUPAC name is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID6428502
Molecular FormulaC17H28F3NO3Si2
Molecular Weight407.58 g/mol
Exact Mass407.16
IUPAC NameN-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C17H28F3NO3Si2/c1-21(16(22)17(18,19)20)11-10-13-8-9-14(23-25(2,3)4)15(12-13)24-26(5,6)7/h8-9,12H,10-11H2,1-7H3
InChIKeySLQQLJGJUQZDSV-UHFFFAOYSA-N
XLogP4.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.68
H-Bond Donors ≤ 50
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 N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 6428502) is N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CCc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is SLQQLJGJUQZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO3Si2/c1-21(16(22)17(18,19)20)11-10-13-8-9-14(23-25(2,3)4)15(12-13)24-26(5,6)7/h8-9,12H,10-11H2,1-7H3.
What are the key properties of N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 407.58 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trimethylsilyloxy)phenyl]ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 6428502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).