N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine

C7H6BrClFNO — CID 84804790

IUPACN-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
SMILESONCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C7H6BrClFNO/c8-5-1-2-6(9)4(3-11-12)7(5)10/h1-2,11-12H,3H2
InChIKeyGRJUHXSSUKQMCF-UHFFFAOYSA-N
MW254.49 g/mol
LogP2.72
Rot. Bonds2

About N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine

N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine (PubChem CID 84804790) has the molecular formula C7H6BrClFNO and a molecular weight of 254.49 g/mol. Its IUPAC name is N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
PubChem CID84804790
Molecular FormulaC7H6BrClFNO
Molecular Weight254.49 g/mol
Exact Mass252.93
IUPAC NameN-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
SMILESONCc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C7H6BrClFNO/c8-5-1-2-6(9)4(3-11-12)7(5)10/h1-2,11-12H,3H2
InChIKeyGRJUHXSSUKQMCF-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955
3-(3-bromo-6-chloro-2-fluorophenyl)propanoic acid
CID 84812174
3-(3-bromo-6-chloro-2-fluorophenyl)propanal
CID 117418213
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
3-bromo-6-chloro-2-fluorophenol
CID 66601002
1-bromo-4-chloro-2-fluoro-3-(isocyanatomethyl)benzene
CID 117415975
N-[(3-bromo-5-chloro-4-fluorophenyl)methyl]hydroxylamine
CID 117389561
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84796698

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine (CID 84804790) is N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine is ONCc1c(Cl)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine?
The InChIKey is GRJUHXSSUKQMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO/c8-5-1-2-6(9)4(3-11-12)7(5)10/h1-2,11-12H,3H2.
What are the key properties of N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine?
N-[(3-bromo-6-chloro-2-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-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 84804790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).