4-(Ethoxyfluorophosphinyloxy)-TEMPO

C11H22FNO4P — CID 71310009

IUPAC—
SMILESCCOP(=O)(F)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H22FNO4P/c1-6-16-18(12,15)17-9-7-10(2,3)13(14)11(4,5)8-9/h9H,6-8H2,1-5H3
InChIKeyPEKVLLLJUKXMKZ-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.48
Rot. Bonds4

About 4-(Ethoxyfluorophosphinyloxy)-TEMPO

4-(Ethoxyfluorophosphinyloxy)-TEMPO (PubChem CID 71310009) has the molecular formula C11H22FNO4P and a molecular weight of 282.27 g/mol.

Molecular Properties

Compound Name4-(Ethoxyfluorophosphinyloxy)-TEMPO
PubChem CID71310009
Molecular FormulaC11H22FNO4P
Molecular Weight282.27 g/mol
Exact Mass282.13
IUPAC Name—
SMILESCCOP(=O)(F)OC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H22FNO4P/c1-6-16-18(12,15)17-9-7-10(2,3)13(14)11(4,5)8-9/h9H,6-8H2,1-5H3
InChIKeyPEKVLLLJUKXMKZ-UHFFFAOYSA-N
XLogP3.48
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(Ethoxyfluorophosphinyloxy)-TEMPO?
The IUPAC name of 4-(Ethoxyfluorophosphinyloxy)-TEMPO (CID 71310009) is not available.
What is the SMILES notation for 4-(Ethoxyfluorophosphinyloxy)-TEMPO?
The canonical SMILES for 4-(Ethoxyfluorophosphinyloxy)-TEMPO is CCOP(=O)(F)OC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of 4-(Ethoxyfluorophosphinyloxy)-TEMPO?
The InChIKey is PEKVLLLJUKXMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO4P/c1-6-16-18(12,15)17-9-7-10(2,3)13(14)11(4,5)8-9/h9H,6-8H2,1-5H3.
What are the key properties of 4-(Ethoxyfluorophosphinyloxy)-TEMPO?
4-(Ethoxyfluorophosphinyloxy)-TEMPO has a molecular weight of 282.27 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Ethoxyfluorophosphinyloxy)-TEMPO is sourced from PubChem (CID 71310009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).