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

C8H4BrF4NO — CID 86635139

IUPACN-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESON=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
InChIKeyYABCADIXIDZPNW-UHFFFAOYSA-N
MW286.02 g/mol
LogP3.33
Rot. Bonds1

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

N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine (PubChem CID 86635139) has the molecular formula C8H4BrF4NO and a molecular weight of 286.02 g/mol. Its IUPAC name is N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
PubChem CID86635139
Molecular FormulaC8H4BrF4NO
Molecular Weight286.02 g/mol
Exact Mass284.94
IUPAC NameN-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine
SMILESON=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
InChIKeyYABCADIXIDZPNW-UHFFFAOYSA-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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Related Compounds

1-(3-Bromophenyl)ethanone oxime
CID 9584507
(E)-1-(4-bromophenyl)-2,2,2-trifluoro-N-trimethylsilylethanimine
CID 58611153
4-Bromo-2-fluorobenzaldehyde oxime
CID 2773325
4-Bromo-2-fluorobenzaldoxime
CID 9582084
p-Bromoacetophenone oxime, (Z)-
CID 6339226
(NZ)-N-[2-bromo-1-(4-bromophenyl)ethylidene]hydroxylamine
CID 11208597
(NE)-N-[(E)-1-(4-bromophenyl)-3-(4-fluorophenyl)prop-2-enylidene]hydroxylamine
CID 70681134
(NZ)-N-[2,2-dibromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
CID 10686448
p-Bromoacetophenone oxime, (E)-
CID 5398499
(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 73053788
(E)-1-(4-bromo-2-fluorophenyl)-N-methoxyethanimine
CID 88046010
(4-Bromophenyl)acetone oxime
CID 13501348

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine (CID 86635139) is N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine is ON=C(c1ccc(Br)cc1F)C(F)(F)F.
What is the InChIKey of N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
The InChIKey is YABCADIXIDZPNW-UHFFFAOYSA-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.
What are the key properties of N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine?
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 N-[1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]hydroxylamine is sourced from PubChem (CID 86635139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).