(E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol

C9H10FNO2 — CID 90147761

IUPAC(E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol
SMILESN/C(=C/O)c1ccc(CO)cc1F
InChIInChI=1S/C9H10FNO2/c10-8-3-6(4-12)1-2-7(8)9(11)5-13/h1-3,5,12-13H,4,11H2/b9-5+
InChIKeyJUYBSILHXZEWLC-WEVVVXLNSA-N
MW183.18 g/mol
LogP1.13
Rot. Bonds2

About (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol

(E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol (PubChem CID 90147761) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol.

Molecular Properties

Compound Name(E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol
PubChem CID90147761
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol
SMILESN/C(=C/O)c1ccc(CO)cc1F
InChIInChI=1S/C9H10FNO2/c10-8-3-6(4-12)1-2-7(8)9(11)5-13/h1-3,5,12-13H,4,11H2/b9-5+
InChIKeyJUYBSILHXZEWLC-WEVVVXLNSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol?
The IUPAC name of (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol (CID 90147761) is (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol.
What is the SMILES notation for (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol?
The canonical SMILES for (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol is N/C(=C/O)c1ccc(CO)cc1F.
What is the InChIKey of (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol?
The InChIKey is JUYBSILHXZEWLC-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-8-3-6(4-12)1-2-7(8)9(11)5-13/h1-3,5,12-13H,4,11H2/b9-5+.
What are the key properties of (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol?
(E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol has a molecular weight of 183.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-2-[2-fluoro-4-(hydroxymethyl)phenyl]ethenol is sourced from PubChem (CID 90147761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).