2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide

C17H28F3NO3Si2 — CID 6428509

IUPAC2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESCN(CC(O[Si](C)(C)C)c1cccc(O[Si](C)(C)C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C17H28F3NO3Si2/c1-21(16(22)17(18,19)20)12-15(24-26(5,6)7)13-9-8-10-14(11-13)23-25(2,3)4/h8-11,15H,12H2,1-7H3
InChIKeyONSRKWRNNNIUJY-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.81
Rot. Bonds7

About 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide (PubChem CID 6428509) has the molecular formula C17H28F3NO3Si2 and a molecular weight of 407.58 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide
PubChem CID6428509
Molecular FormulaC17H28F3NO3Si2
Molecular Weight407.58 g/mol
Exact Mass407.16
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide
SMILESCN(CC(O[Si](C)(C)C)c1cccc(O[Si](C)(C)C)c1)C(=O)C(F)(F)F
InChIInChI=1S/C17H28F3NO3Si2/c1-21(16(22)17(18,19)20)12-15(24-26(5,6)7)13-9-8-10-14(11-13)23-25(2,3)4/h8-11,15H,12H2,1-7H3
InChIKeyONSRKWRNNNIUJY-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
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CID 6427695
Noradrenaline, N-HFB-O-TMS
CID 6427698
Bamethane, N-TFA-O-TMS
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Corbasil, N-TFA-O-TMS
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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide (CID 6428509) is 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide is CN(CC(O[Si](C)(C)C)c1cccc(O[Si](C)(C)C)c1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide?
The InChIKey is ONSRKWRNNNIUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO3Si2/c1-21(16(22)17(18,19)20)12-15(24-26(5,6)7)13-9-8-10-14(11-13)23-25(2,3)4/h8-11,15H,12H2,1-7H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide has a molecular weight of 407.58 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-trimethylsilyloxy-2-(3-trimethylsilyloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 6428509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).