4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine

C11H23FNO4P — CID 95858589

IUPAC4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCO[P@](=O)(F)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H23FNO4P/c1-6-16-18(12,15)17-9-7-10(2,3)13(14)11(4,5)8-9/h9,14H,6-8H2,1-5H3/t18-/m1/s1
InChIKeyCYXRACFGDVXKCW-GOSISDBHSA-N
MW283.28 g/mol
LogP3.53
Rot. Bonds4

About 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 95858589) has the molecular formula C11H23FNO4P and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID95858589
Molecular FormulaC11H23FNO4P
Molecular Weight283.28 g/mol
Exact Mass283.13
IUPAC Name4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCCO[P@](=O)(F)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C11H23FNO4P/c1-6-16-18(12,15)17-9-7-10(2,3)13(14)11(4,5)8-9/h9,14H,6-8H2,1-5H3/t18-/m1/s1
InChIKeyCYXRACFGDVXKCW-GOSISDBHSA-N
XLogP3.53
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(Ethoxyfluorophosphinyloxy)-TEMPO
CID 71310009
4-[(Ethoxyflorophosphinyl)oxy]-2,2,6,6,-tetramethyl-1-piperidine-1-oxyl
CID 5207310
AN 12
CID 3035926
1-Hydroxy-4-phosphono-oxy-2,2,6,6-tetramethyl-piperidine
CID 4550871
1-(Dimethoxyphosphorylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 59510539
1-Methoxy-2,2,6,6-tetramethyl piperidin-4-yl methyl phosphate
CID 71297215
4-Hydroxy-2,2,6,6-tetramethyl-piperidinooxyl dihydrogen phosphate
CID 137333522
4-[Fluoro(methyl)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 22895108
1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate
CID 59968778
Ethoxy-fluoro-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyphosphane
CID 87313561
4-[Fluoro(methyl)phosphoryl]oxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 101587196
4-[Fluoro(propoxy)phosphoryl]oxy-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 101587201

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 95858589) is 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine is CCO[P@](=O)(F)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is CYXRACFGDVXKCW-GOSISDBHSA-N. The full InChI is InChI=1S/C11H23FNO4P/c1-6-16-18(12,15)17-9-7-10(2,3)13(14)11(4,5)8-9/h9,14H,6-8H2,1-5H3/t18-/m1/s1.
What are the key properties of 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 283.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(fluoro)phosphoryl]oxy-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 95858589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).