O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine

C8H9BrFNO — CID 117339731

IUPACO-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(CF)c(Br)c1
InChIInChI=1S/C8H9BrFNO/c9-8-3-6(5-12-11)1-2-7(8)4-10/h1-3H,4-5,11H2
InChIKeyORVIJJMALXKMQW-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.31
Rot. Bonds3

About O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine

O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 117339731) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID117339731
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameO-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
SMILESNOCc1ccc(CF)c(Br)c1
InChIInChI=1S/C8H9BrFNO/c9-8-3-6(5-12-11)1-2-7(8)4-10/h1-3H,4-5,11H2
InChIKeyORVIJJMALXKMQW-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-[(3-bromo-4-ethylphenyl)methyl]hydroxylamine
CID 130051996
O-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 117313669
1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117398395
3-[3-bromo-4-(fluoromethyl)phenyl]propanoic acid
CID 84710394
O-[(3,4-difluorophenyl)methyl]hydroxylamine
CID 19876093
3-[3-bromo-4-(fluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117466889
2,4-dibromo-5-(fluoromethyl)aniline
CID 154310348
O-[(3-bromo-4-chloro-5-fluorophenyl)methyl]hydroxylamine
CID 117389552
[5-(aminooxymethyl)-2-fluorophenyl]methanol
CID 117276845
4-(aminooxymethyl)-3-bromobenzonitrile
CID 130051911
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132
[4-(aminomethyl)-3-bromophenyl]methanamine;hydrochloride
CID 162330321

Frequently Asked Questions

What is the IUPAC name of O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine (CID 117339731) is O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine is NOCc1ccc(CF)c(Br)c1.
What is the InChIKey of O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is ORVIJJMALXKMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-8-3-6(5-12-11)1-2-7(8)4-10/h1-3H,4-5,11H2.
What are the key properties of O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine?
O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 234.07 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117339731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).