4-(4-fluorophenyl)but-3-yn-2-ol

C10H9FO — CID 23006384

IUPAC4-(4-fluorophenyl)but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(F)cc1
InChIInChI=1S/C10H9FO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8,12H,1H3
InChIKeyRLHJWLYULYOXQO-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.56
Rot. Bonds

About 4-(4-fluorophenyl)but-3-yn-2-ol

4-(4-fluorophenyl)but-3-yn-2-ol (PubChem CID 23006384) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 4-(4-fluorophenyl)but-3-yn-2-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)but-3-yn-2-ol
PubChem CID23006384
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name4-(4-fluorophenyl)but-3-yn-2-ol
SMILESCC(O)C#Cc1ccc(F)cc1
InChIInChI=1S/C10H9FO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8,12H,1H3
InChIKeyRLHJWLYULYOXQO-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)but-3-yn-2-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 4-(4-fluorophenyl)but-3-yn-2-ol?
The IUPAC name of 4-(4-fluorophenyl)but-3-yn-2-ol (CID 23006384) is 4-(4-fluorophenyl)but-3-yn-2-ol.
What is the SMILES notation for 4-(4-fluorophenyl)but-3-yn-2-ol?
The canonical SMILES for 4-(4-fluorophenyl)but-3-yn-2-ol is CC(O)C#Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)but-3-yn-2-ol?
The InChIKey is RLHJWLYULYOXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-8,12H,1H3.
What are the key properties of 4-(4-fluorophenyl)but-3-yn-2-ol?
4-(4-fluorophenyl)but-3-yn-2-ol has a molecular weight of 164.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)but-3-yn-2-ol is sourced from PubChem (CID 23006384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).