2-(fluoromethyl)-1,5-dimethylpyridin-4-one

C8H10FNO — CID 59818303

IUPAC2-(fluoromethyl)-1,5-dimethylpyridin-4-one
SMILESCc1cn(C)c(CF)cc1=O
InChIInChI=1S/C8H10FNO/c1-6-5-10(2)7(4-9)3-8(6)11/h3,5H,4H2,1-2H3
InChIKeyCCFJLVKEDHPFEA-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.16
Rot. Bonds1

About 2-(fluoromethyl)-1,5-dimethylpyridin-4-one

2-(fluoromethyl)-1,5-dimethylpyridin-4-one (PubChem CID 59818303) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,5-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-(fluoromethyl)-1,5-dimethylpyridin-4-one
PubChem CID59818303
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-(fluoromethyl)-1,5-dimethylpyridin-4-one
SMILESCc1cn(C)c(CF)cc1=O
InChIInChI=1S/C8H10FNO/c1-6-5-10(2)7(4-9)3-8(6)11/h3,5H,4H2,1-2H3
InChIKeyCCFJLVKEDHPFEA-UHFFFAOYSA-N
XLogP1.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,5-dimethylpyridin-4-one?
The IUPAC name of 2-(fluoromethyl)-1,5-dimethylpyridin-4-one (CID 59818303) is 2-(fluoromethyl)-1,5-dimethylpyridin-4-one.
What is the SMILES notation for 2-(fluoromethyl)-1,5-dimethylpyridin-4-one?
The canonical SMILES for 2-(fluoromethyl)-1,5-dimethylpyridin-4-one is Cc1cn(C)c(CF)cc1=O.
What is the InChIKey of 2-(fluoromethyl)-1,5-dimethylpyridin-4-one?
The InChIKey is CCFJLVKEDHPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6-5-10(2)7(4-9)3-8(6)11/h3,5H,4H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-1,5-dimethylpyridin-4-one?
2-(fluoromethyl)-1,5-dimethylpyridin-4-one has a molecular weight of 155.17 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,5-dimethylpyridin-4-one is sourced from PubChem (CID 59818303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).