2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol

C8H9BrFNO2 — CID 66515526

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
SMILESN[C@H](CO)c1cc(Br)cc(F)c1O
InChIInChI=1S/C8H9BrFNO2/c9-4-1-5(7(11)3-12)8(13)6(10)2-4/h1-2,7,12-13H,3,11H2/t7-/m1/s1
InChIKeyKYPRMAGOMIUHBA-SSDOTTSWSA-N
MW250.07 g/mol
LogP1.29
Rot. Bonds2

About 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol

2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol (PubChem CID 66515526) has the molecular formula C8H9BrFNO2 and a molecular weight of 250.07 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
PubChem CID66515526
Molecular FormulaC8H9BrFNO2
Molecular Weight250.07 g/mol
Exact Mass248.98
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
SMILESN[C@H](CO)c1cc(Br)cc(F)c1O
InChIInChI=1S/C8H9BrFNO2/c9-4-1-5(7(11)3-12)8(13)6(10)2-4/h1-2,7,12-13H,3,11H2/t7-/m1/s1
InChIKeyKYPRMAGOMIUHBA-SSDOTTSWSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-2-cyclopropylethyl]-4-bromo-6-fluorophenol
CID 131559036
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
3-[(1S)-1-amino-2-hydroxyethyl]-5-fluoro-4-hydroxybenzonitrile
CID 55274982
2-[(1S)-1-aminoethyl]-4-bromo-6-fluorophenol
CID 130713722
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromo-6-fluorophenol
CID 131342980
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
4-(1-amino-2-hydroxyethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84788284
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256743
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 130691393
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol (CID 66515526) is 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol is N[C@H](CO)c1cc(Br)cc(F)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol?
The InChIKey is KYPRMAGOMIUHBA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9BrFNO2/c9-4-1-5(7(11)3-12)8(13)6(10)2-4/h1-2,7,12-13H,3,11H2/t7-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol?
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol has a molecular weight of 250.07 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol is sourced from PubChem (CID 66515526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).