(NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine

C₇H₅ClFNO — CID 114454695

About (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine

(NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine (PubChem CID 114454695) has the molecular formula C₇H₅ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine
• PubChem CID: 114454695
• Molecular Formula: C₇H₅ClFNO
• Molecular Weight: 173.57 g/mol
• Exact Mass: 173.00
• IUPAC Name: (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine
• SMILES: O/N=C/c1cc(F)cc(Cl)c1
• InChI: InChI=1S/C7H5ClFNO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-4,11H/b10-4+
• InChIKey: YFJSPOGXWIPLBV-ONNFQVAWSA-N
• XLogP: 2.29
• TPSA: 32.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.57
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine?

The IUPAC name of (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine (CID 114454695) is (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine.

What is the SMILES notation for (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine?

The canonical SMILES for (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine is O/N=C/c1cc(F)cc(Cl)c1.

What is the InChIKey of (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine?

The InChIKey is YFJSPOGXWIPLBV-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-4,11H/b10-4+.

What are the key properties of (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine?

(NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 173.57 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (NE)-N-[(3-chloro-5-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 114454695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114454695 — identifiers, structure, computed properties (public domain)

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