(NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine

C8H7BrFNO — CID 82973671

IUPAC(NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFNO/c1-5(11-12)7-4-6(9)2-3-8(7)10/h2-4,12H,1H3/b11-5-
InChIKeyOYARAPTUFVWQCB-WZUFQYTHSA-N
MW232.05 g/mol
LogP2.79
Rot. Bonds1

About (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine

(NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 82973671) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine
PubChem CID82973671
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name(NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFNO/c1-5(11-12)7-4-6(9)2-3-8(7)10/h2-4,12H,1H3/b11-5-
InChIKeyOYARAPTUFVWQCB-WZUFQYTHSA-N
XLogP2.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine (CID 82973671) is (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine is C/C(=N/O)c1cc(Br)ccc1F.
What is the InChIKey of (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is OYARAPTUFVWQCB-WZUFQYTHSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-5(11-12)7-4-6(9)2-3-8(7)10/h2-4,12H,1H3/b11-5-.
What are the key properties of (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine?
(NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 232.05 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 82973671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).