6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride

C8H10ClF2NO — CID 171253098

IUPAC6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
SMILESC[C@H](N)c1ccc(F)c(F)c1O.Cl
InChIInChI=1S/C8H9F2NO.ClH/c1-4(11)5-2-3-6(9)7(10)8(5)12;/h2-4,12H,11H2,1H3;1H/t4-;/m0./s1
InChIKeyDWXSTLBBFMOHQC-WCCKRBBISA-N
MW209.62 g/mol
LogP2.11
Rot. Bonds1

About 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride

6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride (PubChem CID 171253098) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
PubChem CID171253098
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC Name6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride
SMILESC[C@H](N)c1ccc(F)c(F)c1O.Cl
InChIInChI=1S/C8H9F2NO.ClH/c1-4(11)5-2-3-6(9)7(10)8(5)12;/h2-4,12H,11H2,1H3;1H/t4-;/m0./s1
InChIKeyDWXSTLBBFMOHQC-WCCKRBBISA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
CID 171256473
6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
CID 55274097
6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162
6-[(1S)-1-amino-2,2-difluoroethyl]-2,3-difluorophenol
CID 130817233
6-[(1S)-1-aminoprop-2-enyl]-2,3-difluorophenol;hydrochloride
CID 171253100
(1S)-1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 103739050
1-(2-bromo-3,4-difluorophenyl)ethanamine
CID 84699199
2-(3,4-difluoro-2-hydroxyphenyl)propanenitrile
CID 84768882
1-(2-ethyl-3,4-difluorophenyl)ethanamine
CID 55271184
6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
CID 171253128
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride?
The IUPAC name of 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride (CID 171253098) is 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride is C[C@H](N)c1ccc(F)c(F)c1O.Cl.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride?
The InChIKey is DWXSTLBBFMOHQC-WCCKRBBISA-N. The full InChI is InChI=1S/C8H9F2NO.ClH/c1-4(11)5-2-3-6(9)7(10)8(5)12;/h2-4,12H,11H2,1H3;1H/t4-;/m0./s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride?
6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride has a molecular weight of 209.62 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-2,3-difluorophenol;hydrochloride is sourced from PubChem (CID 171253098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).