1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide

C17H16FNO2 — CID 2218357

IUPAC1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide
SMILESCC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-17(2,16(20)14-6-4-3-5-7-14)19(21)12-13-8-10-15(18)11-9-13/h3-12H,1-2H3/b19-12-
InChIKeyHKVBUWOIHYLFFZ-UNOMPAQXSA-N
MW285.32 g/mol
LogP3.42
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide

1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide (PubChem CID 2218357) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide
PubChem CID2218357
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide
SMILESCC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-17(2,16(20)14-6-4-3-5-7-14)19(21)12-13-8-10-15(18)11-9-13/h3-12H,1-2H3/b19-12-
InChIKeyHKVBUWOIHYLFFZ-UNOMPAQXSA-N
XLogP3.42
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide (CID 2218357) is 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide is CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide?
The InChIKey is HKVBUWOIHYLFFZ-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-17(2,16(20)14-6-4-3-5-7-14)19(21)12-13-8-10-15(18)11-9-13/h3-12H,1-2H3/b19-12-.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide?
1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide has a molecular weight of 285.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)methanimine oxide is sourced from PubChem (CID 2218357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).