(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride

C8H9BrClF2NO — CID 171206728

IUPAC(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H8BrF2NO.ClH/c9-4-1-5(10)8(6(11)2-4)7(12)3-13;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1
InChIKeyHZARKNFPQYDHIR-OGFXRTJISA-N
MW288.52 g/mol
LogP2.14
Rot. Bonds2

About (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride (PubChem CID 171206728) has the molecular formula C8H9BrClF2NO and a molecular weight of 288.52 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
PubChem CID171206728
Molecular FormulaC8H9BrClF2NO
Molecular Weight288.52 g/mol
Exact Mass286.95
IUPAC Name(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1c(F)cc(Br)cc1F
InChIInChI=1S/C8H8BrF2NO.ClH/c9-4-1-5(10)8(6(11)2-4)7(12)3-13;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1
InChIKeyHZARKNFPQYDHIR-OGFXRTJISA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171206711
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-6-fluorophenol
CID 66515526
3-amino-3-(4-bromo-2,6-difluorophenyl)propanoic acid
CID 117449260
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride (CID 171206728) is (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1c(F)cc(Br)cc1F.
What is the InChIKey of (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride?
The InChIKey is HZARKNFPQYDHIR-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8BrF2NO.ClH/c9-4-1-5(10)8(6(11)2-4)7(12)3-13;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride has a molecular weight of 288.52 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171206728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).