O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine

C9H9BrF3NO2 — CID 117482825

IUPACO-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1c(Br)cc(C(F)(F)F)cc1CON
InChIInChI=1S/C9H9BrF3NO2/c1-15-8-5(4-16-14)2-6(3-7(8)10)9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyGQQQWFUOGXZDRG-UHFFFAOYSA-N
MW300.07 g/mol
LogP2.87
Rot. Bonds3

About O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine

O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117482825) has the molecular formula C9H9BrF3NO2 and a molecular weight of 300.07 g/mol. Its IUPAC name is O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117482825
Molecular FormulaC9H9BrF3NO2
Molecular Weight300.07 g/mol
Exact Mass298.98
IUPAC NameO-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESCOc1c(Br)cc(C(F)(F)F)cc1CON
InChIInChI=1S/C9H9BrF3NO2/c1-15-8-5(4-16-14)2-6(3-7(8)10)9(11,12)13/h2-3H,4,14H2,1H3
InChIKeyGQQQWFUOGXZDRG-UHFFFAOYSA-N
XLogP2.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 52.87
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

3-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]propan-1-amine
CID 117496679
1-bromo-2-methoxy-3-methylsulfanyl-5-(trifluoromethyl)benzene
CID 164895108
2-amino-2-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117499018
O-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117315137
1-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 117478322
2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 91883137
O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117380356
2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
CID 117465357
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967
1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
CID 84714628

Frequently Asked Questions

What is the IUPAC name of O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 117482825) is O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine is COc1c(Br)cc(C(F)(F)F)cc1CON.
What is the InChIKey of O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is GQQQWFUOGXZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO2/c1-15-8-5(4-16-14)2-6(3-7(8)10)9(11,12)13/h2-3H,4,14H2,1H3.
What are the key properties of O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine?
O-[[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 300.07 g/mol, XLogP of 2.87, 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-methoxy-5-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117482825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).