(2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide

C18H30FNO2Si — CID 10569107

IUPAC(2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide
SMILESCC[C@@](F)(/C=[N+](\[O-])Cc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30FNO2Si/c1-7-18(19,15-22-23(5,6)17(2,3)4)14-20(21)13-16-11-9-8-10-12-16/h8-12,14H,7,13,15H2,1-6H3/b20-14-/t18-/m1/s1
InChIKeyJKDZYKMXTWLIJD-WRDGEJPTSA-N
MW339.53 g/mol
LogP4.91
Rot. Bonds7

About (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide

(2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide (PubChem CID 10569107) has the molecular formula C18H30FNO2Si and a molecular weight of 339.53 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide
PubChem CID10569107
Molecular FormulaC18H30FNO2Si
Molecular Weight339.53 g/mol
Exact Mass339.20
IUPAC Name(2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide
SMILESCC[C@@](F)(/C=[N+](\[O-])Cc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30FNO2Si/c1-7-18(19,15-22-23(5,6)17(2,3)4)14-20(21)13-16-11-9-8-10-12-16/h8-12,14H,7,13,15H2,1-6H3/b20-14-/t18-/m1/s1
InChIKeyJKDZYKMXTWLIJD-WRDGEJPTSA-N
XLogP4.91
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.91
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-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide?
The IUPAC name of (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide (CID 10569107) is (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide.
What is the SMILES notation for (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide?
The canonical SMILES for (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide is CC[C@@](F)(/C=[N+](\[O-])Cc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide?
The InChIKey is JKDZYKMXTWLIJD-WRDGEJPTSA-N. The full InChI is InChI=1S/C18H30FNO2Si/c1-7-18(19,15-22-23(5,6)17(2,3)4)14-20(21)13-16-11-9-8-10-12-16/h8-12,14H,7,13,15H2,1-6H3/b20-14-/t18-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide?
(2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide has a molecular weight of 339.53 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobutan-1-imine oxide is sourced from PubChem (CID 10569107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).