(NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine

C8H7BrFNO — CID 57445059

IUPAC(NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(F)cc1Br
InChIInChI=1S/C8H7BrFNO/c1-5(11-12)7-3-2-6(10)4-8(7)9/h2-4,12H,1H3/b11-5+
InChIKeyVHDKNVWDQMOEMW-VZUCSPMQSA-N
MW232.05 g/mol
LogP2.79
Rot. Bonds1

About (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine

(NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 57445059) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine
PubChem CID57445059
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name(NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccc(F)cc1Br
InChIInChI=1S/C8H7BrFNO/c1-5(11-12)7-3-2-6(10)4-8(7)9/h2-4,12H,1H3/b11-5+
InChIKeyVHDKNVWDQMOEMW-VZUCSPMQSA-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 (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine (CID 57445059) is (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine is C/C(=N\O)c1ccc(F)cc1Br.
What is the InChIKey of (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is VHDKNVWDQMOEMW-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-5(11-12)7-3-2-6(10)4-8(7)9/h2-4,12H,1H3/b11-5+.
What are the key properties of (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(2-bromo-4-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 (NE)-N-[1-(2-bromo-4-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 57445059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).