1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione

C17H15FO2 — CID 67261290

IUPAC1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FO2/c1-12(19)6-11-17(20)16-5-3-2-4-15(16)13-7-9-14(18)10-8-13/h2-5,7-10H,6,11H2,1H3
InChIKeyHZJLZNOWPDWIQI-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.04
Rot. Bonds5

About 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione

1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione (PubChem CID 67261290) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione
PubChem CID67261290
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FO2/c1-12(19)6-11-17(20)16-5-3-2-4-15(16)13-7-9-14(18)10-8-13/h2-5,7-10H,6,11H2,1H3
InChIKeyHZJLZNOWPDWIQI-UHFFFAOYSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione 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 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione?
The IUPAC name of 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione (CID 67261290) is 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione.
What is the SMILES notation for 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione?
The canonical SMILES for 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione is CC(=O)CCC(=O)c1ccccc1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione?
The InChIKey is HZJLZNOWPDWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-12(19)6-11-17(20)16-5-3-2-4-15(16)13-7-9-14(18)10-8-13/h2-5,7-10H,6,11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione?
1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione has a molecular weight of 270.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)phenyl]pentane-1,4-dione is sourced from PubChem (CID 67261290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).