(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine

C8H6Br2FNO — CID 10686448

IUPAC(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(F)cc1)C(Br)Br
InChIInChI=1S/C8H6Br2FNO/c9-8(10)7(12-13)5-1-3-6(11)4-2-5/h1-4,8,13H/b12-7-
InChIKeyFHKDSIPKTXBATQ-GHXNOFRVSA-N
MW310.95 g/mol
LogP3.12
Rot. Bonds2

About (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine

(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 10686448) has the molecular formula C8H6Br2FNO and a molecular weight of 310.95 g/mol. Its IUPAC name is (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
PubChem CID10686448
Molecular FormulaC8H6Br2FNO
Molecular Weight310.95 g/mol
Exact Mass308.88
IUPAC Name(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(F)cc1)C(Br)Br
InChIInChI=1S/C8H6Br2FNO/c9-8(10)7(12-13)5-1-3-6(11)4-2-5/h1-4,8,13H/b12-7-
InChIKeyFHKDSIPKTXBATQ-GHXNOFRVSA-N
XLogP3.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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 (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine (CID 10686448) is (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine is O/N=C(/c1ccc(F)cc1)C(Br)Br.
What is the InChIKey of (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is FHKDSIPKTXBATQ-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H6Br2FNO/c9-8(10)7(12-13)5-1-3-6(11)4-2-5/h1-4,8,13H/b12-7-.
What are the key properties of (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine?
(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 310.95 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 10686448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).