N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide

C19H32FNO2Si — CID 10784284

IUPACN-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide
SMILESCC(F)(/C=[N+](\[O-])Cc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32FNO2Si/c1-17(2,3)24(7,8)23-18(4,5)19(6,20)15-21(22)14-16-12-10-9-11-13-16/h9-13,15H,14H2,1-8H3/b21-15-
InChIKeyQBRYVDIKQDKJTD-QNGOZBTKSA-N
MW353.55 g/mol
LogP5.30
Rot. Bonds6

About N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide

N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide (PubChem CID 10784284) has the molecular formula C19H32FNO2Si and a molecular weight of 353.55 g/mol. Its IUPAC name is N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide.

Molecular Properties

Compound NameN-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide
PubChem CID10784284
Molecular FormulaC19H32FNO2Si
Molecular Weight353.55 g/mol
Exact Mass353.22
IUPAC NameN-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide
SMILESCC(F)(/C=[N+](\[O-])Cc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32FNO2Si/c1-17(2,3)24(7,8)23-18(4,5)19(6,20)15-21(22)14-16-12-10-9-11-13-16/h9-13,15H,14H2,1-8H3/b21-15-
InChIKeyQBRYVDIKQDKJTD-QNGOZBTKSA-N
XLogP5.30
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.30
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide?
The IUPAC name of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide (CID 10784284) is N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide.
What is the SMILES notation for N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide?
The canonical SMILES for N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide is CC(F)(/C=[N+](\[O-])Cc1ccccc1)C(C)(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide?
The InChIKey is QBRYVDIKQDKJTD-QNGOZBTKSA-N. The full InChI is InChI=1S/C19H32FNO2Si/c1-17(2,3)24(7,8)23-18(4,5)19(6,20)15-21(22)14-16-12-10-9-11-13-16/h9-13,15H,14H2,1-8H3/b21-15-.
What are the key properties of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide?
N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide has a molecular weight of 353.55 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2,3-dimethylbutan-1-imine oxide is sourced from PubChem (CID 10784284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).