(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride

C9H11BrClF2NO — CID 171268660

IUPAC(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1c(F)cc(Br)cc1F.Cl
InChIInChI=1S/C9H10BrF2NO.ClH/c1-4(14)9(13)8-6(11)2-5(10)3-7(8)12;/h2-4,9,14H,13H2,1H3;1H/t4-,9-;/m1./s1
InChIKeyVYBPTVZKODTBIC-DUBABVKMSA-N
MW302.55 g/mol
LogP2.53
Rot. Bonds2

About (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride (PubChem CID 171268660) has the molecular formula C9H11BrClF2NO and a molecular weight of 302.55 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
PubChem CID171268660
Molecular FormulaC9H11BrClF2NO
Molecular Weight302.55 g/mol
Exact Mass300.97
IUPAC Name(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1c(F)cc(Br)cc1F.Cl
InChIInChI=1S/C9H10BrF2NO.ClH/c1-4(14)9(13)8-6(11)2-5(10)3-7(8)12;/h2-4,9,14H,13H2,1H3;1H/t4-,9-;/m1./s1
InChIKeyVYBPTVZKODTBIC-DUBABVKMSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol
CID 130722751
1-(4-bromo-2,6-difluorophenyl)-2-methylpropan-1-amine
CID 83402968
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
(1R,2S)-1-amino-1-(4-bromo-2,6-difluorophenyl)pentan-2-ol
CID 171263004
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
(1R,2S)-1-amino-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 131565436
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride (CID 171268660) is (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1c(F)cc(Br)cc1F.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is VYBPTVZKODTBIC-DUBABVKMSA-N. The full InChI is InChI=1S/C9H10BrF2NO.ClH/c1-4(14)9(13)8-6(11)2-5(10)3-7(8)12;/h2-4,9,14H,13H2,1H3;1H/t4-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride has a molecular weight of 302.55 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-bromo-2,6-difluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171268660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).