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

C8H9BrFNO — CID 28743401

IUPAC(1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol
SMILESNC[C@@H](O)c1cc(Br)ccc1F
InChIInChI=1S/C8H9BrFNO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKeyFSZGLIYFOXWILL-MRVPVSSYSA-N
MW234.07 g/mol
LogP1.58
Rot. Bonds2

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

(1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol (PubChem CID 28743401) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol
PubChem CID28743401
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name(1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol
SMILESNC[C@@H](O)c1cc(Br)ccc1F
InChIInChI=1S/C8H9BrFNO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKeyFSZGLIYFOXWILL-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol (CID 28743401) is (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol is NC[C@@H](O)c1cc(Br)ccc1F.
What is the InChIKey of (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol?
The InChIKey is FSZGLIYFOXWILL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-5-1-2-7(10)6(3-5)8(12)4-11/h1-3,8,12H,4,11H2/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol?
(1S)-2-amino-1-(5-bromo-2-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 (1S)-2-amino-1-(5-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 28743401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).