(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride

C8H10ClFN2O3 — CID 171226598

IUPAC(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9FN2O3.ClH/c9-6-2-1-5(7(10)4-12)3-8(6)11(13)14;/h1-3,7,12H,4,10H2;1H/t7-;/m0./s1
InChIKeyYOWJLRKQMLFSQA-FJXQXJEOSA-N
MW236.63 g/mol
LogP1.15
Rot. Bonds3

About (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride

(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride (PubChem CID 171226598) has the molecular formula C8H10ClFN2O3 and a molecular weight of 236.63 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
PubChem CID171226598
Molecular FormulaC8H10ClFN2O3
Molecular Weight236.63 g/mol
Exact Mass236.04
IUPAC Name(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9FN2O3.ClH/c9-6-2-1-5(7(10)4-12)3-8(6)11(13)14;/h1-3,7,12H,4,10H2;1H/t7-;/m0./s1
InChIKeyYOWJLRKQMLFSQA-FJXQXJEOSA-N
XLogP1.15
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;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

1-(4-fluoro-3-nitrophenyl)propan-1-amine
CID 55272353
(3S)-3-amino-2,2-difluoro-3-(4-fluoro-3-nitrophenyl)propan-1-ol;hydrochloride
CID 171248710
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
CID 52950301
3-amino-3-(4-fluoro-3-nitrophenyl)propanamide
CID 170875972
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248708
(1R)-1-(4-fluoro-3-nitrophenyl)butane-1,4-diamine
CID 171206979
ethyl (3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanoate;hydrochloride
CID 171226600
(3S)-3-amino-3-(4-fluoro-3-nitrophenyl)propanenitrile
CID 131558946
(1S)-2,2,2-trifluoro-1-(4-fluoro-3-nitrophenyl)ethanamine
CID 66511172
(1S)-1-(4-fluoro-3-nitrophenyl)-2,2-dimethylpropan-1-amine
CID 131625230
4-[(1R)-1-amino-2-hydroxyethyl]-2-nitrobenzoic acid
CID 66514959
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride (CID 171226598) is (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride is Cl.N[C@@H](CO)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride?
The InChIKey is YOWJLRKQMLFSQA-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H9FN2O3.ClH/c9-6-2-1-5(7(10)4-12)3-8(6)11(13)14;/h1-3,7,12H,4,10H2;1H/t7-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride has a molecular weight of 236.63 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171226598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).