(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine

C7H4Cl2FNO — CID 11031032

IUPAC(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C7H4Cl2FNO/c8-5-1-2-6(10)7(9)4(5)3-11-12/h1-3,12H/b11-3+
InChIKeyWTCZSJIBXGFCLV-QDEBKDIKSA-N
MW208.02 g/mol
LogP2.94
Rot. Bonds1

About (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine

(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine (PubChem CID 11031032) has the molecular formula C7H4Cl2FNO and a molecular weight of 208.02 g/mol. Its IUPAC name is (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine
PubChem CID11031032
Molecular FormulaC7H4Cl2FNO
Molecular Weight208.02 g/mol
Exact Mass206.97
IUPAC Name(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C7H4Cl2FNO/c8-5-1-2-6(10)7(9)4(5)3-11-12/h1-3,12H/b11-3+
InChIKeyWTCZSJIBXGFCLV-QDEBKDIKSA-N
XLogP2.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.02
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine (CID 11031032) is (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine is O/N=C/c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is WTCZSJIBXGFCLV-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H4Cl2FNO/c8-5-1-2-6(10)7(9)4(5)3-11-12/h1-3,12H/b11-3+.
What are the key properties of (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine?
(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 208.02 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 11031032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).