N-(2-chloro-6-fluorophenyl)methanimine oxide

C7H5ClFNO — CID 89329952

IUPACN-(2-chloro-6-fluorophenyl)methanimine oxide
SMILESC=[N+]([O-])c1c(F)cccc1Cl
InChIInChI=1S/C7H5ClFNO/c1-10(11)7-5(8)3-2-4-6(7)9/h2-4H,1H2
InChIKeyWDWVZSPJDBAQBN-UHFFFAOYSA-N
MW173.57 g/mol
LogP2.32
Rot. Bonds1

About N-(2-chloro-6-fluorophenyl)methanimine oxide

N-(2-chloro-6-fluorophenyl)methanimine oxide (PubChem CID 89329952) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)methanimine oxide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)methanimine oxide
PubChem CID89329952
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC NameN-(2-chloro-6-fluorophenyl)methanimine oxide
SMILESC=[N+]([O-])c1c(F)cccc1Cl
InChIInChI=1S/C7H5ClFNO/c1-10(11)7-5(8)3-2-4-6(7)9/h2-4H,1H2
InChIKeyWDWVZSPJDBAQBN-UHFFFAOYSA-N
XLogP2.32
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 52.32
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-(2-chloro-6-fluorophenyl)methanimine oxide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)methanimine oxide (CID 89329952) is N-(2-chloro-6-fluorophenyl)methanimine oxide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)methanimine oxide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)methanimine oxide is C=[N+]([O-])c1c(F)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)methanimine oxide?
The InChIKey is WDWVZSPJDBAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c1-10(11)7-5(8)3-2-4-6(7)9/h2-4H,1H2.
What are the key properties of N-(2-chloro-6-fluorophenyl)methanimine oxide?
N-(2-chloro-6-fluorophenyl)methanimine oxide has a molecular weight of 173.57 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)methanimine oxide is sourced from PubChem (CID 89329952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).