1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine

C15H22F3NOSi — CID 10543533

IUPAC1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(\C(F)(F)F)[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H22F3NOSi/c1-14(2,3)21(5,6)13(15(16,17)18)19-11-7-9-12(20-4)10-8-11/h7-10H,1-6H3/b19-13+
InChIKeyVKAFYJUTMYLMPM-CPNJWEJPSA-N
MW317.43 g/mol
LogP5.38
Rot. Bonds3

About 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine

1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine (PubChem CID 10543533) has the molecular formula C15H22F3NOSi and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
PubChem CID10543533
Molecular FormulaC15H22F3NOSi
Molecular Weight317.43 g/mol
Exact Mass317.14
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(\C(F)(F)F)[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C15H22F3NOSi/c1-14(2,3)21(5,6)13(15(16,17)18)19-11-7-9-12(20-4)10-8-11/h7-10H,1-6H3/b19-13+
InChIKeyVKAFYJUTMYLMPM-CPNJWEJPSA-N
XLogP5.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine (CID 10543533) is 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C(\C(F)(F)F)[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine?
The InChIKey is VKAFYJUTMYLMPM-CPNJWEJPSA-N. The full InChI is InChI=1S/C15H22F3NOSi/c1-14(2,3)21(5,6)13(15(16,17)18)19-11-7-9-12(20-4)10-8-11/h7-10H,1-6H3/b19-13+.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine?
1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine has a molecular weight of 317.43 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 10543533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).