N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine

C7H6BrClFNO — CID 84804789

IUPACN-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
SMILESONCc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C7H6BrClFNO/c8-6-1-4(9)2-7(10)5(6)3-11-12/h1-2,11-12H,3H2
InChIKeyFUHDKAXHBLUUQX-UHFFFAOYSA-N
MW254.49 g/mol
LogP2.72
Rot. Bonds2

About N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine

N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine (PubChem CID 84804789) has the molecular formula C7H6BrClFNO and a molecular weight of 254.49 g/mol. Its IUPAC name is N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
PubChem CID84804789
Molecular FormulaC7H6BrClFNO
Molecular Weight254.49 g/mol
Exact Mass252.93
IUPAC NameN-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
SMILESONCc1c(F)cc(Cl)cc1Br
InChIInChI=1S/C7H6BrClFNO/c8-6-1-4(9)2-7(10)5(6)3-11-12/h1-2,11-12H,3H2
InChIKeyFUHDKAXHBLUUQX-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-bromo-5-chloro-2-(chloromethyl)-3-fluorobenzene
CID 131587303
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 117449341
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
5-chloro-1,3-difluoro-2-(fluoromethyl)benzene
CID 130776716
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
CID 117389561
N-[(3-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 114453047
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine (CID 84804789) is N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine is ONCc1c(F)cc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine?
The InChIKey is FUHDKAXHBLUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO/c8-6-1-4(9)2-7(10)5(6)3-11-12/h1-2,11-12H,3H2.
What are the key properties of N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine?
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine has a molecular weight of 254.49 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 84804789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).