(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine

C17H18F3NSi — CID 58611159

IUPAC(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NSi/c1-22(2,3)21-16(17(18,19)20)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-12H,1-3H3/b21-16+
InChIKeyHEHRCYIFDMBPBT-LTGZKZEYSA-N
MW321.42 g/mol
LogP5.54
Rot. Bonds3

About (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine

(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine (PubChem CID 58611159) has the molecular formula C17H18F3NSi and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine.

Molecular Properties

Compound Name(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
PubChem CID58611159
Molecular FormulaC17H18F3NSi
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC Name(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1ccccc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H18F3NSi/c1-22(2,3)21-16(17(18,19)20)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-12H,1-3H3/b21-16+
InChIKeyHEHRCYIFDMBPBT-LTGZKZEYSA-N
XLogP5.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine?
The IUPAC name of (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine (CID 58611159) is (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine.
What is the SMILES notation for (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine?
The canonical SMILES for (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine is C[Si](C)(C)/N=C(\c1ccccc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine?
The InChIKey is HEHRCYIFDMBPBT-LTGZKZEYSA-N. The full InChI is InChI=1S/C17H18F3NSi/c1-22(2,3)21-16(17(18,19)20)15-12-8-7-11-14(15)13-9-5-4-6-10-13/h4-12H,1-3H3/b21-16+.
What are the key properties of (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine?
(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine has a molecular weight of 321.42 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine is sourced from PubChem (CID 58611159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).