3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one

C9H15F2NO — CID 118991770

IUPAC3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(F)(F)C(C)(C)N1
InChIInChI=1S/C9H15F2NO/c1-7(2)5-6(13)9(10,11)8(3,4)12-7/h12H,5H2,1-4H3
InChIKeyHYQUVXLUXPLGTH-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.74
Rot. Bonds

About 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one

3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 118991770) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID118991770
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(F)(F)C(C)(C)N1
InChIInChI=1S/C9H15F2NO/c1-7(2)5-6(13)9(10,11)8(3,4)12-7/h12H,5H2,1-4H3
InChIKeyHYQUVXLUXPLGTH-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one (CID 118991770) is 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)C(F)(F)C(C)(C)N1.
What is the InChIKey of 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is HYQUVXLUXPLGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(2)5-6(13)9(10,11)8(3,4)12-7/h12H,5H2,1-4H3.
What are the key properties of 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one?
3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 191.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 118991770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).