N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide

C9H18F3NO2Si — CID 10999712

IUPACN-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide
SMILESC/C(=[N+](/[O-])O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3NO2Si/c1-7(9(10,11)12)13(14)15-16(5,6)8(2,3)4/h1-6H3/b13-7+
InChIKeyIWTKIZQCPIXRFE-NTUHNPAUSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds2

About N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide

N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide (PubChem CID 10999712) has the molecular formula C9H18F3NO2Si and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide
PubChem CID10999712
Molecular FormulaC9H18F3NO2Si
Molecular Weight257.33 g/mol
Exact Mass257.11
IUPAC NameN-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide
SMILESC/C(=[N+](/[O-])O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H18F3NO2Si/c1-7(9(10,11)12)13(14)15-16(5,6)8(2,3)4/h1-6H3/b13-7+
InChIKeyIWTKIZQCPIXRFE-NTUHNPAUSA-N
XLogP3.46
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
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'}

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Related Compounds

1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide
CID 15201789
bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium;trifluoromethanesulfonate
CID 23727144
N-[tert-butyl(dimethyl)silyl]oxypropan-1-imine oxide
CID 57353504
bis[[tert-butyl(dimethyl)silyl]oxy]-ethylideneazanium
CID 23727145
tert-butyl-dimethyl-oxidooxysilane;mercury(2+);2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 171376634
N-[tert-butyl(dimethyl)silyl]oxyhexan-1-imine oxide
CID 12731070
tert-butyl-dimethyl-[(E,2S)-4-nitropent-3-en-2-yl]oxysilane
CID 102418289
[tert-butyl(dimethyl)silyl] 2-methylprop-2-ene-1-sulfinate
CID 71312541
(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine
CID 15311369
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
CID 150663036
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 156694094

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide (CID 10999712) is N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide is C/C(=[N+](/[O-])O[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide?
The InChIKey is IWTKIZQCPIXRFE-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H18F3NO2Si/c1-7(9(10,11)12)13(14)15-16(5,6)8(2,3)4/h1-6H3/b13-7+.
What are the key properties of N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide?
N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide has a molecular weight of 257.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropropan-2-imine oxide is sourced from PubChem (CID 10999712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).