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

C17H28FNO2Si — CID 10616068

IUPAC(2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide
SMILESCC(C)(C)[Si](C)(C)OC[C@](C)(F)/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C17H28FNO2Si/c1-16(2,3)22(5,6)21-14-17(4,18)13-19(20)12-15-10-8-7-9-11-15/h7-11,13H,12,14H2,1-6H3/b19-13-/t17-/m1/s1
InChIKeyRAJYKXUUZDSLPG-MCRQTXEHSA-N
MW325.50 g/mol
LogP4.52
Rot. Bonds6

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

(2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide (PubChem CID 10616068) has the molecular formula C17H28FNO2Si and a molecular weight of 325.50 g/mol. Its IUPAC name is (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide.

Molecular Properties

Compound Name(2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide
PubChem CID10616068
Molecular FormulaC17H28FNO2Si
Molecular Weight325.50 g/mol
Exact Mass325.19
IUPAC Name(2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide
SMILESCC(C)(C)[Si](C)(C)OC[C@](C)(F)/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C17H28FNO2Si/c1-16(2,3)22(5,6)21-14-17(4,18)13-19(20)12-15-10-8-7-9-11-15/h7-11,13H,12,14H2,1-6H3/b19-13-/t17-/m1/s1
InChIKeyRAJYKXUUZDSLPG-MCRQTXEHSA-N
XLogP4.52
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.52
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 (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide?
The IUPAC name of (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide (CID 10616068) is (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide.
What is the SMILES notation for (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide?
The canonical SMILES for (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide is CC(C)(C)[Si](C)(C)OC[C@](C)(F)/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide?
The InChIKey is RAJYKXUUZDSLPG-MCRQTXEHSA-N. The full InChI is InChI=1S/C17H28FNO2Si/c1-16(2,3)22(5,6)21-14-17(4,18)13-19(20)12-15-10-8-7-9-11-15/h7-11,13H,12,14H2,1-6H3/b19-13-/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide?
(2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide has a molecular weight of 325.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-2-methylpropan-1-imine oxide is sourced from PubChem (CID 10616068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).