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5-Benzyloxy-2-difluoromethyl-1-ethyl-1H-pyridin-4-one

HCID 67282967
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCn1cc(OCc2ccccc2)c(=O)cc1C(F)F
InChIKey
UITQKOLBFQYSEF-UHFFFAOYSA-N
Molecular formula
C15H15F2NO2
Average molar mass
279.28 g/mol

Names & identifiers

Preferred name
5-Benzyloxy-2-difluoromethyl-1-ethyl-1H-pyridin-4-one
IUPAC
2-(difluoromethyl)-1-ethyl-5-phenylmethoxypyridin-4-one

Names & synonyms

5-Benzyloxy-2-difluoromethyl-1-ethyl-1H-pyridin-4-oneSCHEMBL2118755

Database identifiers

PubChem CID
67282967

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
412

Related reactions

5 records
New reaction record
HRID 912986 reaction equation
HRID 912986As productuspto-grants-2011_09
HRID 912990 reaction equation
HRID 912990As reactantuspto-grants-2011_09
HRID 1187452 reaction equation
HRID 1187452As productuspto-grants-2014_03
HRID 1187456 reaction equation
HRID 1187456As reactantuspto-grants-2014_03
HRID 1209696 reaction equation
HRID 1209696As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes