3,3-difluoro-5,5-dimethylpiperidin-4-one

C7H11F2NO — CID 130812660

IUPAC3,3-difluoro-5,5-dimethylpiperidin-4-one
SMILESCC1(C)CNCC(F)(F)C1=O
InChIInChI=1S/C7H11F2NO/c1-6(2)3-10-4-7(8,9)5(6)11/h10H,3-4H2,1-2H3
InChIKeyRDIRSOJIUVNTAK-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.82
Rot. Bonds

About 3,3-difluoro-5,5-dimethylpiperidin-4-one

3,3-difluoro-5,5-dimethylpiperidin-4-one (PubChem CID 130812660) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3,3-difluoro-5,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name3,3-difluoro-5,5-dimethylpiperidin-4-one
PubChem CID130812660
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3,3-difluoro-5,5-dimethylpiperidin-4-one
SMILESCC1(C)CNCC(F)(F)C1=O
InChIInChI=1S/C7H11F2NO/c1-6(2)3-10-4-7(8,9)5(6)11/h10H,3-4H2,1-2H3
InChIKeyRDIRSOJIUVNTAK-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,5,5-Tetramethyl-4-piperidone
CID 11535600
3,3-Dimethylpiperidin-4-one
CID 22278837
3-(Trifluoromethyl)piperidin-4-one
CID 83670237
3,3-Dimethylpiperidin-4-one;2,2,2-trifluoroacetic acid
CID 86007205
3-(Fluoromethyl)piperidin-4-one
CID 137521087
1-[4-(Trifluoromethyl)piperidin-4-yl]propan-1-one
CID 146551401
3-Fluoro-3-methylpiperidin-4-one
CID 156550416
3,5-Difluoro-3-methylpiperidin-4-one
CID 156802315
3,3-Difluoro-5-methylpiperidin-4-one
CID 175606222
1-(2,2-Difluoroethyl)-3,3-dimethylpiperidin-4-one
CID 127053540
3,3-Dimethyl-1-(2,2,2-trifluoroethyl)-piperidin-4-one
CID 127053541
3-(Trifluoromethyl)piperidin-4-one;hydrochloride
CID 131872734

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5,5-dimethylpiperidin-4-one?
The IUPAC name of 3,3-difluoro-5,5-dimethylpiperidin-4-one (CID 130812660) is 3,3-difluoro-5,5-dimethylpiperidin-4-one.
What is the SMILES notation for 3,3-difluoro-5,5-dimethylpiperidin-4-one?
The canonical SMILES for 3,3-difluoro-5,5-dimethylpiperidin-4-one is CC1(C)CNCC(F)(F)C1=O.
What is the InChIKey of 3,3-difluoro-5,5-dimethylpiperidin-4-one?
The InChIKey is RDIRSOJIUVNTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-6(2)3-10-4-7(8,9)5(6)11/h10H,3-4H2,1-2H3.
What are the key properties of 3,3-difluoro-5,5-dimethylpiperidin-4-one?
3,3-difluoro-5,5-dimethylpiperidin-4-one has a molecular weight of 163.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5,5-dimethylpiperidin-4-one is sourced from PubChem (CID 130812660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).