(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine

C8H4BrF4NO — CID 87214516

IUPAC(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Br)cc1F)C(F)(F)F
InChIInChI=1S/C8H4BrF4NO/c9-4-1-2-5(6(10)3-4)7(14-15)8(11,12)13/h1-3,15H/b14-7-
InChIKeyYABCADIXIDZPNW-AUWJEWJLSA-N
MW286.02 g/mol
LogP3.33
Rot. Bonds1

About (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine

(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 87214516) has the molecular formula C8H4BrF4NO and a molecular weight of 286.02 g/mol. Its IUPAC name is (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID87214516
Molecular FormulaC8H4BrF4NO
Molecular Weight286.02 g/mol
Exact Mass284.94
IUPAC Name(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Br)cc1F)C(F)(F)F
InChIInChI=1S/C8H4BrF4NO/c9-4-1-2-5(6(10)3-4)7(14-15)8(11,12)13/h1-3,15H/b14-7-
InChIKeyYABCADIXIDZPNW-AUWJEWJLSA-N
XLogP3.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.02
LogP ≤ 53.33
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-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine (CID 87214516) is (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine is O/N=C(/c1ccc(Br)cc1F)C(F)(F)F.
What is the InChIKey of (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is YABCADIXIDZPNW-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4BrF4NO/c9-4-1-2-5(6(10)3-4)7(14-15)8(11,12)13/h1-3,15H/b14-7-.
What are the key properties of (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
(NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine has a molecular weight of 286.02 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 87214516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).