2-amino-1-(2-bromo-5-fluorophenyl)ethanol

C8H9BrFNO — CID 83714678

IUPAC2-amino-1-(2-bromo-5-fluorophenyl)ethanol
SMILESNCC(O)c1cc(F)ccc1Br
InChIInChI=1S/C8H9BrFNO/c9-7-2-1-5(10)3-6(7)8(12)4-11/h1-3,8,12H,4,11H2
InChIKeyHVOOOEIQCRUMBV-UHFFFAOYSA-N
MW234.07 g/mol
LogP1.58
Rot. Bonds2

About 2-amino-1-(2-bromo-5-fluorophenyl)ethanol

2-amino-1-(2-bromo-5-fluorophenyl)ethanol (PubChem CID 83714678) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-bromo-5-fluorophenyl)ethanol
PubChem CID83714678
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-amino-1-(2-bromo-5-fluorophenyl)ethanol
SMILESNCC(O)c1cc(F)ccc1Br
InChIInChI=1S/C8H9BrFNO/c9-7-2-1-5(10)3-6(7)8(12)4-11/h1-3,8,12H,4,11H2
InChIKeyHVOOOEIQCRUMBV-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
2-(aminomethyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-1-ol
CID 65185842
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
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1-(2-bromo-5-fluorophenyl)pent-3-yn-1-ol
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2-amino-2-(2-bromo-5-fluorophenyl)ethanol
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1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811
(1R)-1-(2-bromo-5-fluorophenyl)-2-fluoroethanamine
CID 124707188
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018417
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-5-fluorophenyl)ethanol
CID 115826503
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
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3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170825035

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-5-fluorophenyl)ethanol?
The IUPAC name of 2-amino-1-(2-bromo-5-fluorophenyl)ethanol (CID 83714678) is 2-amino-1-(2-bromo-5-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-bromo-5-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-bromo-5-fluorophenyl)ethanol is NCC(O)c1cc(F)ccc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-5-fluorophenyl)ethanol?
The InChIKey is HVOOOEIQCRUMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-7-2-1-5(10)3-6(7)8(12)4-11/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-1-(2-bromo-5-fluorophenyl)ethanol?
2-amino-1-(2-bromo-5-fluorophenyl)ethanol has a molecular weight of 234.07 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-5-fluorophenyl)ethanol is sourced from PubChem (CID 83714678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).