N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine

C7H7BrFNO — CID 82686499

IUPACN-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
SMILESONCc1ccc(F)c(Br)c1
InChIInChI=1S/C7H7BrFNO/c8-6-3-5(4-10-11)1-2-7(6)9/h1-3,10-11H,4H2
InChIKeyZZDIWCWGTVMSTR-UHFFFAOYSA-N
MW220.04 g/mol
LogP2.07
Rot. Bonds2

About N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine

N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine (PubChem CID 82686499) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
PubChem CID82686499
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
SMILESONCc1ccc(F)c(Br)c1
InChIInChI=1S/C7H7BrFNO/c8-6-3-5(4-10-11)1-2-7(6)9/h1-3,10-11H,4H2
InChIKeyZZDIWCWGTVMSTR-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 52.07
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

(3-bromo-4-fluorophenyl)methylurea
CID 131036089
N-[(3-bromo-4-fluorophenyl)methyl]propanamide
CID 91448069
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
N'-[(3-bromo-4-fluorophenyl)methyl]-N-ethylethane-1,2-diamine
CID 107951053
2-[(3-bromo-4-fluorophenyl)methylamino]propanoic acid
CID 43467343
3-[(3-bromo-4-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 115866672
(3-bromo-4-fluorophenyl)methylboronic acid
CID 63701989
1-(3-bromo-4-fluorophenyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62049325
N-[(3-bromo-4-fluorophenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79091008
2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078
1-[(3-bromo-4-fluorophenyl)methyl]-3-(4-bromophenyl)thiourea
CID 3256503
2-[(3-bromo-4-fluorophenyl)methylamino]ethylurea
CID 83111406

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine (CID 82686499) is N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine is ONCc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine?
The InChIKey is ZZDIWCWGTVMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-6-3-5(4-10-11)1-2-7(6)9/h1-3,10-11H,4H2.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine?
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine has a molecular weight of 220.04 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 82686499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).