1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide

C6H12F3NO2Si — CID 15201789

IUPAC1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide
SMILESC/C(=[N+](/[O-])O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3NO2Si/c1-5(6(7,8)9)10(11)12-13(2,3)4/h1-4H3/b10-5+
InChIKeyBYZJLUOMSBFQLF-BJMVGYQFSA-N
MW215.25 g/mol
LogP2.29
Rot. Bonds2

About 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide

1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide (PubChem CID 15201789) has the molecular formula C6H12F3NO2Si and a molecular weight of 215.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide
PubChem CID15201789
Molecular FormulaC6H12F3NO2Si
Molecular Weight215.25 g/mol
Exact Mass215.06
IUPAC Name1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide
SMILESC/C(=[N+](/[O-])O[Si](C)(C)C)C(F)(F)F
InChIInChI=1S/C6H12F3NO2Si/c1-5(6(7,8)9)10(11)12-13(2,3)4/h1-4H3/b10-5+
InChIKeyBYZJLUOMSBFQLF-BJMVGYQFSA-N
XLogP2.29
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide?
The IUPAC name of 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide (CID 15201789) is 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide.
What is the SMILES notation for 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide?
The canonical SMILES for 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide is C/C(=[N+](/[O-])O[Si](C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide?
The InChIKey is BYZJLUOMSBFQLF-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H12F3NO2Si/c1-5(6(7,8)9)10(11)12-13(2,3)4/h1-4H3/b10-5+.
What are the key properties of 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide?
1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide has a molecular weight of 215.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-trimethylsilyloxypropan-2-imine oxide is sourced from PubChem (CID 15201789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).