N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine

C8H8BrF2NO2 — CID 82686505

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C8H8BrF2NO2/c9-6-1-2-7(14-8(10)11)5(3-6)4-12-13/h1-3,8,12-13H,4H2
InChIKeySOORKNAAIXNOHO-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.53
Rot. Bonds4

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine (PubChem CID 82686505) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
PubChem CID82686505
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
SMILESONCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C8H8BrF2NO2/c9-6-1-2-7(14-8(10)11)5(3-6)4-12-13/h1-3,8,12-13H,4H2
InChIKeySOORKNAAIXNOHO-UHFFFAOYSA-N
XLogP2.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-2-amine
CID 43221077
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]aniline
CID 43762816
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43230665
1-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 110930479
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methoxyethanamine
CID 43220291
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 43232569
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-methoxypropan-2-amine
CID 43220853
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-(2-methoxyethoxy)methanamine
CID 82715327
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43220482
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methylaniline
CID 107582286

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine (CID 82686505) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine is ONCc1cc(Br)ccc1OC(F)F.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine?
The InChIKey is SOORKNAAIXNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c9-6-1-2-7(14-8(10)11)5(3-6)4-12-13/h1-3,8,12-13H,4H2.
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine has a molecular weight of 268.06 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 82686505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).