N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide

C13H9ClFNO — CID 869589

IUPACN-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide
SMILES[O-]/[N+](=C/c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
InChIKeyHRFRFKGHIGSDJE-CXUHLZMHSA-N
MW249.67 g/mol
LogP3.74
Rot. Bonds2

About N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide

N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide (PubChem CID 869589) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide
PubChem CID869589
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC NameN-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide
SMILES[O-]/[N+](=C/c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
InChIKeyHRFRFKGHIGSDJE-CXUHLZMHSA-N
XLogP3.74
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide?
The IUPAC name of N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide (CID 869589) is N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide is [O-]/[N+](=C/c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide?
The InChIKey is HRFRFKGHIGSDJE-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-11-3-7-13(8-4-11)16(17)9-10-1-5-12(15)6-2-10/h1-9H/b16-9+.
What are the key properties of N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide?
N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide has a molecular weight of 249.67 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-fluorophenyl)methanimine oxide is sourced from PubChem (CID 869589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).