2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one

C15H14FNO3 — CID 10912743

IUPAC2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one
SMILESO=c1cc(-c2ccc(F)cc2)oc(N2CCOCC2)c1
InChIInChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
InChIKeyPERAFXFTWFWDNO-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one

2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one (PubChem CID 10912743) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one
PubChem CID10912743
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one
SMILESO=c1cc(-c2ccc(F)cc2)oc(N2CCOCC2)c1
InChIInChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2
InChIKeyPERAFXFTWFWDNO-UHFFFAOYSA-N
XLogP2.28
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one?
The IUPAC name of 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one (CID 10912743) is 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one is O=c1cc(-c2ccc(F)cc2)oc(N2CCOCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one?
The InChIKey is PERAFXFTWFWDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-12-3-1-11(2-4-12)14-9-13(18)10-15(20-14)17-5-7-19-8-6-17/h1-4,9-10H,5-8H2.
What are the key properties of 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one?
2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one has a molecular weight of 275.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-morpholin-4-ylpyran-4-one is sourced from PubChem (CID 10912743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).