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

C11H13BrF3NSi — CID 76837325

IUPAC1-(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
InChIKeyVYBYTJDFXRLISQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.64
Rot. Bonds2

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

1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine (PubChem CID 76837325) has the molecular formula C11H13BrF3NSi and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
PubChem CID76837325
Molecular FormulaC11H13BrF3NSi
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name1-(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
InChIKeyVYBYTJDFXRLISQ-UHFFFAOYSA-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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Related Compounds

(E)-1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
CID 58611140
(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
CID 58611152
(E)-1-(4-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
CID 58611153
(E)-2,2,3,3,3-pentafluoro-1-phenyl-N-trimethylsilylpropan-1-imine
CID 135007371
(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine
CID 135057207
1-(4-Bromophenyl)-2,2,2-trifluoroethanimine
CID 12164754
1-(3-Bromophenyl)-2,2,2-trifluoroethanimine
CID 12164757
2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
CID 76837331
N-[1-(4-bromophenyl)-2,2,2-trifluoroethylidene]-1,1,1-trimethylsilanamine
CID 76837332
1-(5-Bromo-2,4-difluorophenyl)ethanimine
CID 87490060
1-(5-Bromo-2-fluorophenyl)-2,2-difluoroethanimine
CID 88548641
1-(5-Bromo-2-fluorophenyl)ethanimine
CID 88898025

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
The IUPAC name of 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine (CID 76837325) is 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine.
What is the SMILES notation for 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
The canonical SMILES for 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 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
The InChIKey is VYBYTJDFXRLISQ-UHFFFAOYSA-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.
What are the key properties of 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine?
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 1-(3-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine is sourced from PubChem (CID 76837325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).