3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one

C12H16F2N2O — CID 171484670

IUPAC3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one
SMILESCc1cc(N)c(=O)n(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H16F2N2O/c1-8-6-10(15)11(17)16(7-8)9-2-4-12(13,14)5-3-9/h6-7,9H,2-5,15H2,1H3
InChIKeyJUOBWIYSNRROMA-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.49
Rot. Bonds1

About 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one

3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one (PubChem CID 171484670) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one
PubChem CID171484670
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one
SMILESCc1cc(N)c(=O)n(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H16F2N2O/c1-8-6-10(15)11(17)16(7-8)9-2-4-12(13,14)5-3-9/h6-7,9H,2-5,15H2,1H3
InChIKeyJUOBWIYSNRROMA-UHFFFAOYSA-N
XLogP2.49
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one?
The IUPAC name of 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one (CID 171484670) is 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one.
What is the SMILES notation for 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one?
The canonical SMILES for 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one is Cc1cc(N)c(=O)n(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one?
The InChIKey is JUOBWIYSNRROMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8-6-10(15)11(17)16(7-8)9-2-4-12(13,14)5-3-9/h6-7,9H,2-5,15H2,1H3.
What are the key properties of 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one?
3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one has a molecular weight of 242.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4-difluorocyclohexyl)-5-methylpyridin-2-one is sourced from PubChem (CID 171484670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).