4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline

C17H20F3NOSi — CID 140890746

IUPAC4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C17H20F3NOSi/c1-23(2,3)22-16(17(18,19)20,13-7-5-4-6-8-13)14-9-11-15(21)12-10-14/h4-12H,21H2,1-3H3
InChIKeyUHMXEWVEUNYSNE-UHFFFAOYSA-N
MW339.43 g/mol
LogP4.93
Rot. Bonds4

About 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline

4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline (PubChem CID 140890746) has the molecular formula C17H20F3NOSi and a molecular weight of 339.43 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline
PubChem CID140890746
Molecular FormulaC17H20F3NOSi
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC Name4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccc(N)cc1)C(F)(F)F
InChIInChI=1S/C17H20F3NOSi/c1-23(2,3)22-16(17(18,19)20,13-7-5-4-6-8-13)14-9-11-15(21)12-10-14/h4-12H,21H2,1-3H3
InChIKeyUHMXEWVEUNYSNE-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline?
The IUPAC name of 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline (CID 140890746) is 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline?
The canonical SMILES for 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline is C[Si](C)(C)OC(c1ccccc1)(c1ccc(N)cc1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline?
The InChIKey is UHMXEWVEUNYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NOSi/c1-23(2,3)22-16(17(18,19)20,13-7-5-4-6-8-13)14-9-11-15(21)12-10-14/h4-12H,21H2,1-3H3.
What are the key properties of 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline?
4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline has a molecular weight of 339.43 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-phenyl-1-trimethylsilyloxyethyl)aniline is sourced from PubChem (CID 140890746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).