2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide

C9H18F3NOSSi — CID 15590157

IUPAC2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide
SMILESC[Si](C)(C)CCSCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H18F3NOSSi/c1-16(2,3)7-6-15-5-4-13-8(14)9(10,11)12/h4-7H2,1-3H3,(H,13,14)
InChIKeyKNNQZHFWAXVYQK-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.74
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide (PubChem CID 15590157) has the molecular formula C9H18F3NOSSi and a molecular weight of 273.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide
PubChem CID15590157
Molecular FormulaC9H18F3NOSSi
Molecular Weight273.40 g/mol
Exact Mass273.08
IUPAC Name2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide
SMILESC[Si](C)(C)CCSCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H18F3NOSSi/c1-16(2,3)7-6-15-5-4-13-8(14)9(10,11)12/h4-7H2,1-3H3,(H,13,14)
InChIKeyKNNQZHFWAXVYQK-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide (CID 15590157) is 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide is C[Si](C)(C)CCSCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide?
The InChIKey is KNNQZHFWAXVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NOSSi/c1-16(2,3)7-6-15-5-4-13-8(14)9(10,11)12/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide has a molecular weight of 273.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 15590157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).