2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride

C8H12ClFN2O2 — CID 171253901

IUPAC2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
SMILESCl.Nc1cc(F)cc([C@@H](N)CO)c1O
InChIInChI=1S/C8H11FN2O2.ClH/c9-4-1-5(7(11)3-12)8(13)6(10)2-4;/h1-2,7,12-13H,3,10-11H2;1H/t7-;/m0./s1
InChIKeyZXYARPIRCDTSNA-FJXQXJEOSA-N
MW222.65 g/mol
LogP0.53
Rot. Bonds2

About 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride

2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride (PubChem CID 171253901) has the molecular formula C8H12ClFN2O2 and a molecular weight of 222.65 g/mol. Its IUPAC name is 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
PubChem CID171253901
Molecular FormulaC8H12ClFN2O2
Molecular Weight222.65 g/mol
Exact Mass222.06
IUPAC Name2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride
SMILESCl.Nc1cc(F)cc([C@@H](N)CO)c1O
InChIInChI=1S/C8H11FN2O2.ClH/c9-4-1-5(7(11)3-12)8(13)6(10)2-4;/h1-2,7,12-13H,3,10-11H2;1H/t7-;/m0./s1
InChIKeyZXYARPIRCDTSNA-FJXQXJEOSA-N
XLogP0.53
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205435
2-amino-6-[(1S)-1-amino-3-methylbutyl]-4-fluorophenol
CID 171253937
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-4-fluorophenol
CID 171253945
3-[(1S)-1-amino-2-hydroxyethyl]-5-fluoro-2-hydroxybenzoic acid;hydrochloride
CID 171258458
2-amino-6-[(1R)-1-aminopent-4-enyl]-4-fluorophenol
CID 171257284
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
2-amino-6-[(1R)-1-aminoprop-2-enyl]-4-fluorophenol;hydrochloride
CID 171257243
2-amino-6-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenol
CID 66511506
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
CID 130804785
2-amino-6-[(R)-amino(cyclobutyl)methyl]-4-fluorophenol;hydrochloride
CID 171257260
methyl (2S)-2-amino-2-(3-amino-5-fluoro-2-hydroxyphenyl)acetate;hydrochloride
CID 171257246

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride?
The IUPAC name of 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride (CID 171253901) is 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride is Cl.Nc1cc(F)cc([C@@H](N)CO)c1O.
What is the InChIKey of 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride?
The InChIKey is ZXYARPIRCDTSNA-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H11FN2O2.ClH/c9-4-1-5(7(11)3-12)8(13)6(10)2-4;/h1-2,7,12-13H,3,10-11H2;1H/t7-;/m0./s1.
What are the key properties of 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride?
2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride has a molecular weight of 222.65 g/mol, XLogP of 0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1R)-1-amino-2-hydroxyethyl]-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171253901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).