4,4-difluoro-2,2,6,6-tetramethylpiperidine

C9H17F2N — CID 125492279

IUPAC4,4-difluoro-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(F)(F)CC(C)(C)N1
InChIInChI=1S/C9H17F2N/c1-7(2)5-9(10,11)6-8(3,4)12-7/h12H,5-6H2,1-4H3
InChIKeyMMTRIWXGDOFGLW-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.56
Rot. Bonds

About 4,4-difluoro-2,2,6,6-tetramethylpiperidine

4,4-difluoro-2,2,6,6-tetramethylpiperidine (PubChem CID 125492279) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4,4-difluoro-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-2,2,6,6-tetramethylpiperidine
PubChem CID125492279
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4,4-difluoro-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CC(F)(F)CC(C)(C)N1
InChIInChI=1S/C9H17F2N/c1-7(2)5-9(10,11)6-8(3,4)12-7/h12H,5-6H2,1-4H3
InChIKeyMMTRIWXGDOFGLW-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,6,6-Tetramethylpiperidine
CID 13035
Piperidine, 2,2,6,6-tetramethyl-, hydrobromide
CID 120464
Piperidine, 2,2,6,6-tetramethyl-, hydrochloride (1:1)
CID 120465
2,2,6,6-Tetramethylpiperidine--hydrogen iodide (1/1)
CID 120466
Piperidine, 2,2,4,6,6-pentamethyl-
CID 3048078
piperidine, 2,2,6,6-tetramethyl-, lithium salt
CID 57419888
2,2,6,6-Tetramethyl-1-(trifluoromethyl)piperidine
CID 15105668
2,2,6,6-Tetramethylpiperidin-1-ium
CID 1550918
2,2,6,6-Tetraethyl-piperidine
CID 22138515
2,2,6,6-Tetramethylpiperidinium chloride
CID 66868076
2,2,6-Trimethyl-6-methylpiperidine
CID 138980471
4-Fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 141137328

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4,4-difluoro-2,2,6,6-tetramethylpiperidine (CID 125492279) is 4,4-difluoro-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4,4-difluoro-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4,4-difluoro-2,2,6,6-tetramethylpiperidine is CC1(C)CC(F)(F)CC(C)(C)N1.
What is the InChIKey of 4,4-difluoro-2,2,6,6-tetramethylpiperidine?
The InChIKey is MMTRIWXGDOFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)5-9(10,11)6-8(3,4)12-7/h12H,5-6H2,1-4H3.
What are the key properties of 4,4-difluoro-2,2,6,6-tetramethylpiperidine?
4,4-difluoro-2,2,6,6-tetramethylpiperidine has a molecular weight of 177.24 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 125492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).