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

C10H9FO — CID 173336751

IUPAC(2R)-4-(3-fluorophenyl)but-3-yn-2-ol
SMILESC[C@@H](O)C#Cc1cccc(F)c1
InChIInChI=1S/C10H9FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8,12H,1H3/t8-/m1/s1
InChIKeyCHYBXRHKOXROOO-MRVPVSSYSA-N
MW164.18 g/mol
LogP1.56
Rot. Bonds

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

(2R)-4-(3-fluorophenyl)but-3-yn-2-ol (PubChem CID 173336751) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is (2R)-4-(3-fluorophenyl)but-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-4-(3-fluorophenyl)but-3-yn-2-ol
PubChem CID173336751
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name(2R)-4-(3-fluorophenyl)but-3-yn-2-ol
SMILESC[C@@H](O)C#Cc1cccc(F)c1
InChIInChI=1S/C10H9FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8,12H,1H3/t8-/m1/s1
InChIKeyCHYBXRHKOXROOO-MRVPVSSYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluorophenyl)but-3-yn-2-ol?
The IUPAC name of (2R)-4-(3-fluorophenyl)but-3-yn-2-ol (CID 173336751) is (2R)-4-(3-fluorophenyl)but-3-yn-2-ol.
What is the SMILES notation for (2R)-4-(3-fluorophenyl)but-3-yn-2-ol?
The canonical SMILES for (2R)-4-(3-fluorophenyl)but-3-yn-2-ol is C[C@@H](O)C#Cc1cccc(F)c1.
What is the InChIKey of (2R)-4-(3-fluorophenyl)but-3-yn-2-ol?
The InChIKey is CHYBXRHKOXROOO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7-8,12H,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(3-fluorophenyl)but-3-yn-2-ol?
(2R)-4-(3-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 (2R)-4-(3-fluorophenyl)but-3-yn-2-ol is sourced from PubChem (CID 173336751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).