2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol

C23H17F4NO — CID 58554524

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol
SMILESC#CCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C23H17F4NO/c1-3-12-22(29,19-10-9-18(24)13-20(19)25)23(26,27)21-11-8-17(14-28-21)16-6-4-15(2)5-7-16/h1,4-11,13-14,29H,12H2,2H3
InChIKeyUOFJVDCQTNGCPP-UHFFFAOYSA-N
MW399.39 g/mol
LogP5.34
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol (PubChem CID 58554524) has the molecular formula C23H17F4NO and a molecular weight of 399.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol
PubChem CID58554524
Molecular FormulaC23H17F4NO
Molecular Weight399.39 g/mol
Exact Mass399.12
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol
SMILESC#CCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1
InChIInChI=1S/C23H17F4NO/c1-3-12-22(29,19-10-9-18(24)13-20(19)25)23(26,27)21-11-8-17(14-28-21)16-6-4-15(2)5-7-16/h1,4-11,13-14,29H,12H2,2H3
InChIKeyUOFJVDCQTNGCPP-UHFFFAOYSA-N
XLogP5.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-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 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol (CID 58554524) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol is C#CCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol?
The InChIKey is UOFJVDCQTNGCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4NO/c1-3-12-22(29,19-10-9-18(24)13-20(19)25)23(26,27)21-11-8-17(14-28-21)16-6-4-15(2)5-7-16/h1,4-11,13-14,29H,12H2,2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol has a molecular weight of 399.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]pent-4-yn-2-ol is sourced from PubChem (CID 58554524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).