6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one

C13H15F2NO — CID 18348725

IUPAC6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one
SMILESCC1(C)CCC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C13H15F2NO/c1-13(2)6-5-11(16-12(13)17)8-3-4-9(14)10(15)7-8/h3-4,7,11H,5-6H2,1-2H3,(H,16,17)
InChIKeyXJSSOCNQYDPMCZ-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.94
Rot. Bonds1

About 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one

6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one (PubChem CID 18348725) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one
PubChem CID18348725
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one
SMILESCC1(C)CCC(c2ccc(F)c(F)c2)NC1=O
InChIInChI=1S/C13H15F2NO/c1-13(2)6-5-11(16-12(13)17)8-3-4-9(14)10(15)7-8/h3-4,7,11H,5-6H2,1-2H3,(H,16,17)
InChIKeyXJSSOCNQYDPMCZ-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one?
The IUPAC name of 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one (CID 18348725) is 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one is CC1(C)CCC(c2ccc(F)c(F)c2)NC1=O.
What is the InChIKey of 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one?
The InChIKey is XJSSOCNQYDPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-13(2)6-5-11(16-12(13)17)8-3-4-9(14)10(15)7-8/h3-4,7,11H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one?
6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one has a molecular weight of 239.26 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-3,3-dimethylpiperidin-2-one is sourced from PubChem (CID 18348725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).