2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine

C13H16F3NSi — CID 140822162

IUPAC2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine
SMILESC[Si](C)(C)C#Cc1cccc(C(N)C(F)(F)F)c1
InChIInChI=1S/C13H16F3NSi/c1-18(2,3)8-7-10-5-4-6-11(9-10)12(17)13(14,15)16/h4-6,9,12H,17H2,1-3H3
InChIKeyDRWDGLJLAXYFOV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.48
Rot. Bonds1

About 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine

2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine (PubChem CID 140822162) has the molecular formula C13H16F3NSi and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine
PubChem CID140822162
Molecular FormulaC13H16F3NSi
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine
SMILESC[Si](C)(C)C#Cc1cccc(C(N)C(F)(F)F)c1
InChIInChI=1S/C13H16F3NSi/c1-18(2,3)8-7-10-5-4-6-11(9-10)12(17)13(14,15)16/h4-6,9,12H,17H2,1-3H3
InChIKeyDRWDGLJLAXYFOV-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine (CID 140822162) is 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine is C[Si](C)(C)C#Cc1cccc(C(N)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine?
The InChIKey is DRWDGLJLAXYFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NSi/c1-18(2,3)8-7-10-5-4-6-11(9-10)12(17)13(14,15)16/h4-6,9,12H,17H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine?
2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(2-trimethylsilylethynyl)phenyl]ethanamine is sourced from PubChem (CID 140822162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).