2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol

C8H9BrFNO2 — CID 130151540

IUPAC2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol
SMILESOCC(NO)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2/c9-5-1-2-6(7(10)3-5)8(4-12)11-13/h1-3,8,11-13H,4H2
InChIKeyDJAGVDXYFZECMR-UHFFFAOYSA-N
MW250.07 g/mol
LogP1.60
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol

2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol (PubChem CID 130151540) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol
PubChem CID130151540
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol
SMILESOCC(NO)c1ccc(Br)cc1F
InChIInChI=1S/C8H9BrFNO2/c9-5-1-2-6(7(10)3-5)8(4-12)11-13/h1-3,8,11-13H,4H2
InChIKeyDJAGVDXYFZECMR-UHFFFAOYSA-N
XLogP1.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
CID 61047741
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
(1R)-1-(4-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001577
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
[1-(4-bromo-2-fluorophenyl)-3-methylidenepentyl]hydrazine
CID 105281036

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol (CID 130151540) is 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol is OCC(NO)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol?
The InChIKey is DJAGVDXYFZECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c9-5-1-2-6(7(10)3-5)8(4-12)11-13/h1-3,8,11-13H,4H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol?
2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol has a molecular weight of 250.07 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(hydroxyamino)ethanol is sourced from PubChem (CID 130151540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).