(1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride

C8H10BrClFNO — CID 138040263

IUPAC(1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC[C@@H](O)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H9BrFNO.ClH/c9-6-3-5(8(12)4-11)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyUAZTVSBBBJEQQV-DDWIOCJRSA-N
MW270.53 g/mol
LogP2.00
Rot. Bonds2

About (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride

(1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride (PubChem CID 138040263) has the molecular formula C8H10BrClFNO and a molecular weight of 270.53 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride
PubChem CID138040263
Molecular FormulaC8H10BrClFNO
Molecular Weight270.53 g/mol
Exact Mass268.96
IUPAC Name(1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC[C@@H](O)c1ccc(F)c(Br)c1
InChIInChI=1S/C8H9BrFNO.ClH/c9-6-3-5(8(12)4-11)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1
InChIKeyUAZTVSBBBJEQQV-DDWIOCJRSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride (CID 138040263) is (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride is Cl.NC[C@@H](O)c1ccc(F)c(Br)c1.
What is the InChIKey of (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride?
The InChIKey is UAZTVSBBBJEQQV-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9BrFNO.ClH/c9-6-3-5(8(12)4-11)1-2-7(6)10;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1.
What are the key properties of (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride?
(1S)-2-amino-1-(3-bromo-4-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 (1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 138040263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).