2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

C18H30F3NO3Si2 — CID 91753853

IUPAC2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C18H30F3NO3Si2/c1-13(22(2)17(23)18(19,20)21)16(25-27(6,7)8)14-9-11-15(12-10-14)24-26(3,4)5/h9-13,16H,1-8H3
InChIKeyPCZKUFGOSJMQTK-UHFFFAOYSA-N
MW421.61 g/mol
LogP5.20
Rot. Bonds7

About 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (PubChem CID 91753853) has the molecular formula C18H30F3NO3Si2 and a molecular weight of 421.61 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
PubChem CID91753853
Molecular FormulaC18H30F3NO3Si2
Molecular Weight421.61 g/mol
Exact Mass421.17
IUPAC Name2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C18H30F3NO3Si2/c1-13(22(2)17(23)18(19,20)21)16(25-27(6,7)8)14-9-11-15(12-10-14)24-26(3,4)5/h9-13,16H,1-8H3
InChIKeyPCZKUFGOSJMQTK-UHFFFAOYSA-N
XLogP5.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.61
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (CID 91753853) is 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is CC(C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1)N(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The InChIKey is PCZKUFGOSJMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO3Si2/c1-13(22(2)17(23)18(19,20)21)16(25-27(6,7)8)14-9-11-15(12-10-14)24-26(3,4)5/h9-13,16H,1-8H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
2,2,2-trifluoro-N-methyl-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide has a molecular weight of 421.61 g/mol, XLogP of 5.20, 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-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 91753853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).