2-(3-amino-2-fluoro-6-nitrophenyl)ethanol

C8H9FN2O3 — CID 20792213

IUPAC2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
SMILESNc1ccc([N+](=O)[O-])c(CCO)c1F
InChIInChI=1S/C8H9FN2O3/c9-8-5(3-4-12)7(11(13)14)2-1-6(8)10/h1-2,12H,3-4,10H2
InChIKeyBJCALCRAOQNOBJ-UHFFFAOYSA-N
MW200.17 g/mol
LogP0.85
Rot. Bonds3

About 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol

2-(3-amino-2-fluoro-6-nitrophenyl)ethanol (PubChem CID 20792213) has the molecular formula C8H9FN2O3 and a molecular weight of 200.17 g/mol. Its IUPAC name is 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
PubChem CID20792213
Molecular FormulaC8H9FN2O3
Molecular Weight200.17 g/mol
Exact Mass200.06
IUPAC Name2-(3-amino-2-fluoro-6-nitrophenyl)ethanol
SMILESNc1ccc([N+](=O)[O-])c(CCO)c1F
InChIInChI=1S/C8H9FN2O3/c9-8-5(3-4-12)7(11(13)14)2-1-6(8)10/h1-2,12H,3-4,10H2
InChIKeyBJCALCRAOQNOBJ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-amino-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

2-(2,6-difluoro-3-nitrophenyl)ethanol
CID 130047508
2,2-difluoro-N-[2-fluoro-3-(2-hydroxyethyl)-4-nitrophenyl]propanamide
CID 20792211
2-amino-3-(2-hydroxyethyl)-4,6-dinitrophenol
CID 91156521
ethanol;methyl 3-amino-2,6-difluorobenzoate;methyl 2,6-difluoro-3-nitrobenzoate
CID 162127312
2-amino-6-(2-hydroxyethyl)-3-nitrophenol
CID 67031897
2-(3-amino-6-methoxy-2-nitrophenyl)ethanol;azane
CID 21320601
3-(3,6-diamino-2-nitrophenyl)propan-1-ol
CID 19909189
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
2-[2-amino-3-[(4-ethylphenyl)diazenyl]-6-nitrophenyl]ethanol
CID 150788680
2-(2,3-difluoro-6-nitrophenyl)acetate
CID 86306842
2-aminoethanol;4-methyl-2-nitroaniline
CID 22061887
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol?
The IUPAC name of 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol (CID 20792213) is 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol.
What is the SMILES notation for 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol?
The canonical SMILES for 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol is Nc1ccc([N+](=O)[O-])c(CCO)c1F.
What is the InChIKey of 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol?
The InChIKey is BJCALCRAOQNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3/c9-8-5(3-4-12)7(11(13)14)2-1-6(8)10/h1-2,12H,3-4,10H2.
What are the key properties of 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol?
2-(3-amino-2-fluoro-6-nitrophenyl)ethanol has a molecular weight of 200.17 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-fluoro-6-nitrophenyl)ethanol is sourced from PubChem (CID 20792213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).