3,3-difluoro-1,2-dihydropyridin-4-one

C5H5F2NO — CID 170742035

IUPAC3,3-difluoro-1,2-dihydropyridin-4-one
SMILESO=C1C=CNCC1(F)F
InChIInChI=1S/C5H5F2NO/c6-5(7)3-8-2-1-4(5)9/h1-2,8H,3H2
InChIKeyNIJLAQWYPTTZPJ-UHFFFAOYSA-N
MW133.10 g/mol
LogP0.31
Rot. Bonds

About 3,3-difluoro-1,2-dihydropyridin-4-one

3,3-difluoro-1,2-dihydropyridin-4-one (PubChem CID 170742035) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dihydropyridin-4-one.

Molecular Properties

Compound Name3,3-difluoro-1,2-dihydropyridin-4-one
PubChem CID170742035
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name3,3-difluoro-1,2-dihydropyridin-4-one
SMILESO=C1C=CNCC1(F)F
InChIInChI=1S/C5H5F2NO/c6-5(7)3-8-2-1-4(5)9/h1-2,8H,3H2
InChIKeyNIJLAQWYPTTZPJ-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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pyrrole-2,5-dione;sulfur monoxide
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(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2-dihydropyridin-4-one?
The IUPAC name of 3,3-difluoro-1,2-dihydropyridin-4-one (CID 170742035) is 3,3-difluoro-1,2-dihydropyridin-4-one.
What is the SMILES notation for 3,3-difluoro-1,2-dihydropyridin-4-one?
The canonical SMILES for 3,3-difluoro-1,2-dihydropyridin-4-one is O=C1C=CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-1,2-dihydropyridin-4-one?
The InChIKey is NIJLAQWYPTTZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c6-5(7)3-8-2-1-4(5)9/h1-2,8H,3H2.
What are the key properties of 3,3-difluoro-1,2-dihydropyridin-4-one?
3,3-difluoro-1,2-dihydropyridin-4-one has a molecular weight of 133.10 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dihydropyridin-4-one is sourced from PubChem (CID 170742035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).