(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride

C8H10BrClFNO — CID 171224063

IUPAC(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cccc(F)c1Br
InChIInChI=1S/C8H9BrFNO.ClH/c9-8-5(7(11)4-12)2-1-3-6(8)10;/h1-3,7,12H,4,11H2;1H/t7-;/m0./s1
InChIKeyALGVDSYHVONYGM-FJXQXJEOSA-N
MW270.53 g/mol
LogP2.00
Rot. Bonds2

About (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride

(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride (PubChem CID 171224063) has the molecular formula C8H10BrClFNO and a molecular weight of 270.53 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
PubChem CID171224063
Molecular FormulaC8H10BrClFNO
Molecular Weight270.53 g/mol
Exact Mass268.96
IUPAC Name(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cccc(F)c1Br
InChIInChI=1S/C8H9BrFNO.ClH/c9-8-5(7(11)4-12)2-1-3-6(8)10;/h1-3,7,12H,4,11H2;1H/t7-;/m0./s1
InChIKeyALGVDSYHVONYGM-FJXQXJEOSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.53
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
CID 171267992
2-amino-2-(3-fluoro-2-iodophenyl)ethanol
CID 130043805
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
1-(2-bromo-3-fluorophenyl)but-3-yn-1-amine
CID 114977875
(3S)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241172
(3R)-3-amino-3-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247890
(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride (CID 171224063) is (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride is Cl.N[C@@H](CO)c1cccc(F)c1Br.
What is the InChIKey of (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride?
The InChIKey is ALGVDSYHVONYGM-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H9BrFNO.ClH/c9-8-5(7(11)4-12)2-1-3-6(8)10;/h1-3,7,12H,4,11H2;1H/t7-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride has a molecular weight of 270.53 g/mol, XLogP of 2.00, 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-(2-bromo-3-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171224063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).