O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine

C8H9BrFNO — CID 117339724

IUPACO-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)ccc1Br
InChIInChI=1S/C8H9BrFNO/c9-8-2-1-7(10)5-6(8)3-4-12-11/h1-2,5H,3-4,11H2
InChIKeyLUYDHRVGBPOOHD-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.02
Rot. Bonds3

About O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine

O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine (PubChem CID 117339724) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
PubChem CID117339724
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameO-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
SMILESNOCCc1cc(F)ccc1Br
InChIInChI=1S/C8H9BrFNO/c9-8-2-1-7(10)5-6(8)3-4-12-11/h1-2,5H,3-4,11H2
InChIKeyLUYDHRVGBPOOHD-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
3-(2-bromo-5-fluorophenyl)propanal
CID 53434280
3-(2-bromo-5-fluorophenyl)propanenitrile
CID 53434281
O-[2-(4-bromo-3-fluorophenyl)ethyl]hydroxylamine
CID 117339727
2-[2-(2-bromo-5-fluorophenyl)ethoxy]-N-methylacetamide
CID 177335006
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-(2-bromo-5-fluorophenyl)ethanesulfonic acid
CID 86621556
1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
CID 11845573
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
O-[4-(5-fluoro-2-methoxyphenyl)butyl]hydroxylamine
CID 95441631
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
O-[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]hydroxylamine
CID 117403795

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine (CID 117339724) is O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine is NOCCc1cc(F)ccc1Br.
What is the InChIKey of O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine?
The InChIKey is LUYDHRVGBPOOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-8-2-1-7(10)5-6(8)3-4-12-11/h1-2,5H,3-4,11H2.
What are the key properties of O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine?
O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine has a molecular weight of 234.07 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117339724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).