1,3-difluoro-2,5-dihydropyridin-6-one

C5H5F2NO — CID 91807747

IUPAC1,3-difluoro-2,5-dihydropyridin-6-one
SMILESO=C1CC=C(F)CN1F
InChIInChI=1S/C5H5F2NO/c6-4-1-2-5(9)8(7)3-4/h1H,2-3H2
InChIKeyAUSDADVTSVXYIQ-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.96
Rot. Bonds

About 1,3-difluoro-2,5-dihydropyridin-6-one

1,3-difluoro-2,5-dihydropyridin-6-one (PubChem CID 91807747) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name1,3-difluoro-2,5-dihydropyridin-6-one
PubChem CID91807747
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name1,3-difluoro-2,5-dihydropyridin-6-one
SMILESO=C1CC=C(F)CN1F
InChIInChI=1S/C5H5F2NO/c6-4-1-2-5(9)8(7)3-4/h1H,2-3H2
InChIKeyAUSDADVTSVXYIQ-UHFFFAOYSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dihydropyridin-6-one?
The IUPAC name of 1,3-difluoro-2,5-dihydropyridin-6-one (CID 91807747) is 1,3-difluoro-2,5-dihydropyridin-6-one.
What is the SMILES notation for 1,3-difluoro-2,5-dihydropyridin-6-one?
The canonical SMILES for 1,3-difluoro-2,5-dihydropyridin-6-one is O=C1CC=C(F)CN1F.
What is the InChIKey of 1,3-difluoro-2,5-dihydropyridin-6-one?
The InChIKey is AUSDADVTSVXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c6-4-1-2-5(9)8(7)3-4/h1H,2-3H2.
What are the key properties of 1,3-difluoro-2,5-dihydropyridin-6-one?
1,3-difluoro-2,5-dihydropyridin-6-one has a molecular weight of 133.10 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,5-dihydropyridin-6-one is sourced from PubChem (CID 91807747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).