2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one

C18H14FNO2 — CID 15086706

IUPAC2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccccn2)=CC1=O
InChIInChI=1S/C18H14FNO2/c1-18(13-5-7-14(19)8-6-13)17(21)12-16(22-18)10-9-15-4-2-3-11-20-15/h2-12H,1H3/b10-9+
InChIKeyODHIYKULZKUHKW-MDZDMXLPSA-N
MW295.31 g/mol
LogP3.63
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one

2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one (PubChem CID 15086706) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one
PubChem CID15086706
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccccn2)=CC1=O
InChIInChI=1S/C18H14FNO2/c1-18(13-5-7-14(19)8-6-13)17(21)12-16(22-18)10-9-15-4-2-3-11-20-15/h2-12H,1H3/b10-9+
InChIKeyODHIYKULZKUHKW-MDZDMXLPSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one 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-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one (CID 15086706) is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one is CC1(c2ccc(F)cc2)OC(/C=C/c2ccccn2)=CC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one?
The InChIKey is ODHIYKULZKUHKW-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-18(13-5-7-14(19)8-6-13)17(21)12-16(22-18)10-9-15-4-2-3-11-20-15/h2-12H,1H3/b10-9+.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one?
2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one has a molecular weight of 295.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]furan-3-one is sourced from PubChem (CID 15086706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).