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

C11H14F3NSi — CID 58611152

IUPAC(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NSi/c1-16(2,3)15-10(11(12,13)14)9-7-5-4-6-8-9/h4-8H,1-3H3/b15-10+
InChIKeyGMOKXLCQVOLFTM-XNTDXEJSSA-N
MW245.32 g/mol
LogP3.87
Rot. Bonds2

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

(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine (PubChem CID 58611152) has the molecular formula C11H14F3NSi and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine.

Molecular Properties

Compound Name(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
PubChem CID58611152
Molecular FormulaC11H14F3NSi
Molecular Weight245.32 g/mol
Exact Mass245.08
IUPAC Name(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NSi/c1-16(2,3)15-10(11(12,13)14)9-7-5-4-6-8-9/h4-8H,1-3H3/b15-10+
InChIKeyGMOKXLCQVOLFTM-XNTDXEJSSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.87
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-phenyl-N-trimethylsilylethanimine?
The IUPAC name of (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine (CID 58611152) is (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine.
What is the SMILES notation for (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine?
The canonical SMILES for (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine is C[Si](C)(C)/N=C(\c1ccccc1)C(F)(F)F.
What is the InChIKey of (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine?
The InChIKey is GMOKXLCQVOLFTM-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H14F3NSi/c1-16(2,3)15-10(11(12,13)14)9-7-5-4-6-8-9/h4-8H,1-3H3/b15-10+.
What are the key properties of (E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine?
(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine has a molecular weight of 245.32 g/mol, XLogP of 3.87, 2 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-phenyl-N-trimethylsilylethanimine is sourced from PubChem (CID 58611152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).