(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine

C11H13BrF3NSi — CID 58611140

IUPAC(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C11H13BrF3NSi/c1-17(2,3)16-10(11(13,14)15)8-5-4-6-9(12)7-8/h4-7H,1-3H3/b16-10+
InChIKeyVYBYTJDFXRLISQ-MHWRWJLKSA-N
MW324.22 g/mol
LogP4.64
Rot. Bonds2

About (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine

(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine (PubChem CID 58611140) has the molecular formula C11H13BrF3NSi and a molecular weight of 324.22 g/mol. Its IUPAC name is (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine.

Molecular Properties

Compound Name(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
PubChem CID58611140
Molecular FormulaC11H13BrF3NSi
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C11H13BrF3NSi/c1-17(2,3)16-10(11(13,14)15)8-5-4-6-9(12)7-8/h4-7H,1-3H3/b16-10+
InChIKeyVYBYTJDFXRLISQ-MHWRWJLKSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.64
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)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
The IUPAC name of (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine (CID 58611140) is (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine.
What is the SMILES notation for (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
The canonical SMILES for (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine is C[Si](C)(C)/N=C(\c1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
The InChIKey is VYBYTJDFXRLISQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C11H13BrF3NSi/c1-17(2,3)16-10(11(13,14)15)8-5-4-6-9(12)7-8/h4-7H,1-3H3/b16-10+.
What are the key properties of (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine has a molecular weight of 324.22 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine is sourced from PubChem (CID 58611140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).