O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine

C8H9BrFNO2 — CID 83396466

IUPACO-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
SMILESNOCCOc1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2/c9-6-1-2-8(7(10)5-6)12-3-4-13-11/h1-2,5H,3-4,11H2
InChIKeySQVFLTVLCFXSJS-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.86
Rot. Bonds4

About O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine

O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine (PubChem CID 83396466) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
PubChem CID83396466
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC NameO-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
SMILESNOCCOc1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2/c9-6-1-2-8(7(10)5-6)12-3-4-13-11/h1-2,5H,3-4,11H2
InChIKeySQVFLTVLCFXSJS-UHFFFAOYSA-N
XLogP1.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(4-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43531314
2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
CID 58603321
5-(4-bromo-2-fluorophenoxy)-N'-hydroxypentanimidamide
CID 54965707
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
N-[2-(4-bromo-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 62598740
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine
CID 19370611
2-(4-bromo-2-fluorophenoxy)acetonitrile
CID 43084322
3-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 43349804
N-[2-(4-bromo-2-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 62598204
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CID 43378172
4-bromo-1-(2-bromoprop-2-enoxy)-2-fluorobenzene
CID 130721910

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine (CID 83396466) is O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine is NOCCOc1ccc(Br)cc1F.
What is the InChIKey of O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine?
The InChIKey is SQVFLTVLCFXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c9-6-1-2-8(7(10)5-6)12-3-4-13-11/h1-2,5H,3-4,11H2.
What are the key properties of O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine?
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine has a molecular weight of 250.07 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine is sourced from PubChem (CID 83396466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).