(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol

C8H9BrFNO — CID 66514747

IUPAC(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
SMILESN[C@@H](CO)c1cc(F)cc(Br)c1
InChIInChI=1S/C8H9BrFNO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKeyIFFYQONBWGTGIG-QMMMGPOBSA-N
MW234.07 g/mol
LogP1.58
Rot. Bonds2

About (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol

(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol (PubChem CID 66514747) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
PubChem CID66514747
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
SMILESN[C@@H](CO)c1cc(F)cc(Br)c1
InChIInChI=1S/C8H9BrFNO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m0/s1
InChIKeyIFFYQONBWGTGIG-QMMMGPOBSA-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

(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol
CID 84710747
(3S)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247688
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)propanenitrile;hydrochloride
CID 171260409
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol (CID 66514747) is (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol is N[C@@H](CO)c1cc(F)cc(Br)c1.
What is the InChIKey of (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol?
The InChIKey is IFFYQONBWGTGIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol?
(2R)-2-amino-2-(3-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 (2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol is sourced from PubChem (CID 66514747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).