4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

C9H18FNO — CID 141137328

IUPAC4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CC(F)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H18FNO/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6H2,1-4H3
InChIKeyOLOICJBZRCITFJ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.06
Rot. Bonds

About 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium

4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (PubChem CID 141137328) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.

Molecular Properties

Compound Name4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
PubChem CID141137328
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
SMILESCC1(C)CC(F)CC(C)(C)[NH+]1[O-]
InChIInChI=1S/C9H18FNO/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6H2,1-4H3
InChIKeyOLOICJBZRCITFJ-UHFFFAOYSA-N
XLogP1.06
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tempo
CID 2724126
2,2,6,6-Tetramethylpiperidine
CID 13035
2,2,6,6-Tetramethylpiperidin-1-ium
CID 1550918
2,2,6,6-Tetramethyl-1-oxidopiperidine
CID 10125084
2,2,6,6-Tetramethylpiperidine-d18-1-oxyl
CID 100970186
2,2,6,6-Tetramethyl-piperidine 1-oxide
CID 10125083
1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium chloride
CID 12108403
1-Hydroxy-2,2,6,6-tetramethylpiperidin-1-ium
CID 12657389
2,2,6-Trimethyl-6-methylpiperidine
CID 138980471
4-Fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 67170975
3-Fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 144269896
4-Fluoro-2,2,6,6-tetramethylpiperidine
CID 153803895

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The IUPAC name of 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium (CID 141137328) is 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium.
What is the SMILES notation for 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The canonical SMILES for 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is CC1(C)CC(F)CC(C)(C)[NH+]1[O-].
What is the InChIKey of 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
The InChIKey is OLOICJBZRCITFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7,11H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium?
4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium has a molecular weight of 175.25 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium is sourced from PubChem (CID 141137328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).