3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol

C9H8FNO — CID 169484790

IUPAC3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol
SMILESNc1ccc(F)cc1C#CCO
InChIInChI=1S/C9H8FNO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,5,11H2
InChIKeyZGEMOBPWNVCHBF-UHFFFAOYSA-N
MW165.17 g/mol
LogP0.75
Rot. Bonds

About 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol

3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol (PubChem CID 169484790) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol
PubChem CID169484790
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol
SMILESNc1ccc(F)cc1C#CCO
InChIInChI=1S/C9H8FNO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,5,11H2
InChIKeyZGEMOBPWNVCHBF-UHFFFAOYSA-N
XLogP0.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol 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 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol (CID 169484790) is 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol is Nc1ccc(F)cc1C#CCO.
What is the InChIKey of 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol?
The InChIKey is ZGEMOBPWNVCHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c10-8-3-4-9(11)7(6-8)2-1-5-12/h3-4,6,12H,5,11H2.
What are the key properties of 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol?
3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol has a molecular weight of 165.17 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 169484790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).