O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine

C8H9BrFNO2 — CID 117378161

IUPACO-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(F)c1Br
InChIInChI=1S/C8H9BrFNO2/c1-12-6-3-2-5(4-13-11)8(10)7(6)9/h2-3H,4,11H2,1H3
InChIKeySZFKYVGIMCUKSA-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.99
Rot. Bonds3

About O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine

O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117378161) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
PubChem CID117378161
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC NameO-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1ccc(CON)c(F)c1Br
InChIInChI=1S/C8H9BrFNO2/c1-12-6-3-2-5(4-13-11)8(10)7(6)9/h2-3H,4,11H2,1H3
InChIKeySZFKYVGIMCUKSA-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 117441916
O-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]hydroxylamine
CID 117330895
O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
CID 58419548
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
O-[(2-methoxy-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117288802
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
O-[(4-bromo-2-chloro-3-fluorophenyl)methyl]hydroxylamine
CID 117389554
1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499
2-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 117411724
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117366988
O-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117286953

Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine (CID 117378161) is O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine is COc1ccc(CON)c(F)c1Br.
What is the InChIKey of O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is SZFKYVGIMCUKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c1-12-6-3-2-5(4-13-11)8(10)7(6)9/h2-3H,4,11H2,1H3.
What are the key properties of O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine?
O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 250.07 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117378161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).