(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol

C8H9FN2O3 — CID 130748697

IUPAC(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol
SMILESN[C@H](CO)c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O3/c9-5-2-1-3-7(11(13)14)8(5)6(10)4-12/h1-3,6,12H,4,10H2/t6-/m1/s1
InChIKeyJHANLTMDXPRBGB-ZCFIWIBFSA-N
MW200.17 g/mol
LogP0.73
Rot. Bonds3

About (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol

(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol (PubChem CID 130748697) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol
PubChem CID130748697
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol
SMILESN[C@H](CO)c1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O3/c9-5-2-1-3-7(11(13)14)8(5)6(10)4-12/h1-3,6,12H,4,10H2/t6-/m1/s1
InChIKeyJHANLTMDXPRBGB-ZCFIWIBFSA-N
XLogP0.73
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 50.73
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 (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol 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-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
methyl 2-(1-amino-2-hydroxyethyl)-3-nitrobenzoate
CID 117352620
dimethyl 2-(2-fluoro-6-nitrophenyl)propanedioate
CID 24824335
(2R)-2-amino-2-(2-ethyl-6-fluorophenyl)ethanol
CID 130648488
2-[(1R)-1-amino-2-hydroxyethyl]-6-chloro-3-nitrophenol
CID 131505079
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
2-amino-3-(2-fluoro-6-nitrophenyl)propanoic acid
CID 75993446
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(2R)-2-amino-2-(2,6-dichloro-3-nitrophenyl)ethanol
CID 66515503
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol (CID 130748697) is (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol is N[C@H](CO)c1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol?
The InChIKey is JHANLTMDXPRBGB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-5-2-1-3-7(11(13)14)8(5)6(10)4-12/h1-3,6,12H,4,10H2/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol?
(2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol has a molecular weight of 200.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-fluoro-6-nitrophenyl)ethanol is sourced from PubChem (CID 130748697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).