2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one

C14H14FNO — CID 175852288

IUPAC2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1ccc(=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H14FNO/c1-10(2)16-8-7-13(17)9-14(16)11-3-5-12(15)6-4-11/h3-10H,1-2H3
InChIKeyGDGACSBFJILWMJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.24
Rot. Bonds2

About 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one

2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one (PubChem CID 175852288) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
PubChem CID175852288
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one
SMILESCC(C)n1ccc(=O)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H14FNO/c1-10(2)16-8-7-13(17)9-14(16)11-3-5-12(15)6-4-11/h3-10H,1-2H3
InChIKeyGDGACSBFJILWMJ-UHFFFAOYSA-N
XLogP3.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one (CID 175852288) is 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one is CC(C)n1ccc(=O)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one?
The InChIKey is GDGACSBFJILWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10(2)16-8-7-13(17)9-14(16)11-3-5-12(15)6-4-11/h3-10H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one?
2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one has a molecular weight of 231.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 175852288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).