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

C8H9FN2O — CID 53397822

IUPACN-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESNCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)8(5-10)11-12/h1-4,12H,5,10H2
InChIKeyNOUGWGGCQSJNIR-UHFFFAOYSA-N
MW168.17 g/mol
LogP0.96
Rot. Bonds2

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

N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 53397822) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine
PubChem CID53397822
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC NameN-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESNCC(=NO)c1ccc(F)cc1
InChIInChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)8(5-10)11-12/h1-4,12H,5,10H2
InChIKeyNOUGWGGCQSJNIR-UHFFFAOYSA-N
XLogP0.96
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine (CID 53397822) is N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine is NCC(=NO)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is NOUGWGGCQSJNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)8(5-10)11-12/h1-4,12H,5,10H2.
What are the key properties of N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine?
N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 168.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 53397822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).