N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine

C8H7BrFNO — CID 76874608

IUPACN-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrFNO/c1-5(11-12)6-2-3-8(10)7(9)4-6/h2-4,12H,1H3
InChIKeyUHAMCDBFQYYZFY-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.79
Rot. Bonds1

About N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine

N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 76874608) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine
PubChem CID76874608
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H7BrFNO/c1-5(11-12)6-2-3-8(10)7(9)4-6/h2-4,12H,1H3
InChIKeyUHAMCDBFQYYZFY-UHFFFAOYSA-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 N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine (CID 76874608) is N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine is CC(=NO)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is UHAMCDBFQYYZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-5(11-12)6-2-3-8(10)7(9)4-6/h2-4,12H,1H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine?
N-[1-(3-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 N-[1-(3-bromo-4-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 76874608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).