(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine

C11H14BrF2NSi — CID 135057207

IUPAC(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C11H14BrF2NSi/c1-16(2,3)15-10(11(13)14)8-4-6-9(12)7-5-8/h4-7,11H,1-3H3/b15-10+
InChIKeyZJBKPKRQZMMNHE-XNTDXEJSSA-N
MW306.23 g/mol
LogP4.34
Rot. Bonds3

About (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine

(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine (PubChem CID 135057207) has the molecular formula C11H14BrF2NSi and a molecular weight of 306.23 g/mol. Its IUPAC name is (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine.

Molecular Properties

Compound Name(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine
PubChem CID135057207
Molecular FormulaC11H14BrF2NSi
Molecular Weight306.23 g/mol
Exact Mass305.00
IUPAC Name(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine
SMILESC[Si](C)(C)/N=C(\c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C11H14BrF2NSi/c1-16(2,3)15-10(11(13)14)8-4-6-9(12)7-5-8/h4-7,11H,1-3H3/b15-10+
InChIKeyZJBKPKRQZMMNHE-XNTDXEJSSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 54.34
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
p-Bromoacetophenone oxime, (Z)-
CID 6339226
p-Bromoacetophenone oxime, (E)-
CID 5398499
(E)-1-(4-bromo-2-fluorophenyl)-N-methoxyethanimine
CID 88046010
Ethanone, hydrazone
CID 5380952
1-Bromo-4-(1-diazo-2,2,2-trifluoroethyl)benzene
CID 101882224
(1-(4-Bromophenyl)ethylidene)hydrazine
CID 267965
1-(4-Bromophenyl)ethanone oxime
CID 730051
(NE)-N-[1-(4-bromophenyl)propylidene]hydroxylamine
CID 10489503
5-(4-bromophenyl)-7-(trifluoromethyl)-3,6-dihydro-2H-1,4-diazepine
CID 132470818

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine?
The IUPAC name of (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine (CID 135057207) is (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine.
What is the SMILES notation for (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine?
The canonical SMILES for (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine is C[Si](C)(C)/N=C(\c1ccc(Br)cc1)C(F)F.
What is the InChIKey of (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine?
The InChIKey is ZJBKPKRQZMMNHE-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H14BrF2NSi/c1-16(2,3)15-10(11(13)14)8-4-6-9(12)7-5-8/h4-7,11H,1-3H3/b15-10+.
What are the key properties of (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine?
(E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine has a molecular weight of 306.23 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromophenyl)-2,2-difluoro-N-trimethylsilylethanimine is sourced from PubChem (CID 135057207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).