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

C9H16FNO — CID 139536839

IUPAC3-fluoro-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(F)C(C)(C)N1
InChIInChI=1S/C9H16FNO/c1-8(2)5-6(12)7(10)9(3,4)11-8/h7,11H,5H2,1-4H3
InChIKeyGLSQHHRUCJJNFG-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.44
Rot. Bonds

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

3-fluoro-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 139536839) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name3-fluoro-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID139536839
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)C(F)C(C)(C)N1
InChIInChI=1S/C9H16FNO/c1-8(2)5-6(12)7(10)9(3,4)11-8/h7,11H,5H2,1-4H3
InChIKeyGLSQHHRUCJJNFG-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one (CID 139536839) is 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)C(F)C(C)(C)N1.
What is the InChIKey of 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is GLSQHHRUCJJNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(2)5-6(12)7(10)9(3,4)11-8/h7,11H,5H2,1-4H3.
What are the key properties of 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one?
3-fluoro-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 173.23 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 139536839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).