N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine

C8H9BrFNO — CID 84796698

IUPACN-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
SMILESCc1c(Br)ccc(F)c1CNO
InChIInChI=1S/C8H9BrFNO/c1-5-6(4-11-12)8(10)3-2-7(5)9/h2-3,11-12H,4H2,1H3
InChIKeyHCVQYMOPQXOEND-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.38
Rot. Bonds2

About N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine

N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine (PubChem CID 84796698) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
PubChem CID84796698
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameN-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine
SMILESCc1c(Br)ccc(F)c1CNO
InChIInChI=1S/C8H9BrFNO/c1-5-6(4-11-12)8(10)3-2-7(5)9/h2-3,11-12H,4H2,1H3
InChIKeyHCVQYMOPQXOEND-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.38
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

methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
N-[(2-chloro-3,6-difluorophenyl)methyl]hydroxylamine
CID 117284233
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
N-[(2-bromo-4-chloro-6-fluorophenyl)methyl]hydroxylamine
CID 84804789
N-[(6-bromo-4-fluoro-2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 117449341
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
N-[(2,3-difluoro-6-methoxyphenyl)methyl]hydroxylamine
CID 117281308
2-[(3-bromo-2,6-difluorophenyl)methyl]-1,1-dimethylhydrazine
CID 106263667

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine (CID 84796698) is N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine is Cc1c(Br)ccc(F)c1CNO.
What is the InChIKey of N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is HCVQYMOPQXOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5-6(4-11-12)8(10)3-2-7(5)9/h2-3,11-12H,4H2,1H3.
What are the key properties of N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine?
N-[(3-bromo-6-fluoro-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 234.07 g/mol, XLogP of 2.38, 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-fluoro-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84796698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).