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

C8H9BrFNO — CID 66514745

IUPAC(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
SMILESN[C@@H](CO)c1cccc(Br)c1F
InChIInChI=1S/C8H9BrFNO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2/t7-/m0/s1
InChIKeyPISJLUHENJOECA-ZETCQYMHSA-N
MW234.07 g/mol
LogP1.58
Rot. Bonds2

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

(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol (PubChem CID 66514745) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
PubChem CID66514745
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
SMILESN[C@@H](CO)c1cccc(Br)c1F
InChIInChI=1S/C8H9BrFNO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2/t7-/m0/s1
InChIKeyPISJLUHENJOECA-ZETCQYMHSA-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

(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
CID 130642368
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)-3-methylbutan-1-amine
CID 130869354
1-(3-bromo-2-fluorophenyl)-3-methylbut-3-en-1-amine
CID 107953308
1-(3-bromo-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106647905
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(1R)-1-(3-bromo-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171203684
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171203694
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol (CID 66514745) is (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol is N[C@@H](CO)c1cccc(Br)c1F.
What is the InChIKey of (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol?
The InChIKey is PISJLUHENJOECA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9BrFNO/c9-6-3-1-2-5(8(6)10)7(11)4-12/h1-3,7,12H,4,11H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol?
(2R)-2-amino-2-(3-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 (2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 66514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).