1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate

C10H20FNO3P — CID 59968778

IUPAC—
SMILESCC1(C)CC(OP(C)(=O)F)CC(C)(C)N1[O]
InChIInChI=1S/C10H20FNO3P/c1-9(2)6-8(15-16(5,11)14)7-10(3,4)12(9)13/h8H,6-7H2,1-5H3
InChIKeyFQSRTNDDKAOMTN-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.16
Rot. Bonds2

About 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate

1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate (PubChem CID 59968778) has the molecular formula C10H20FNO3P and a molecular weight of 252.25 g/mol.

Molecular Properties

Compound Name1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate
PubChem CID59968778
Molecular FormulaC10H20FNO3P
Molecular Weight252.25 g/mol
Exact Mass252.12
IUPAC Name—
SMILESCC1(C)CC(OP(C)(=O)F)CC(C)(C)N1[O]
InChIInChI=1S/C10H20FNO3P/c1-9(2)6-8(15-16(5,11)14)7-10(3,4)12(9)13/h8H,6-7H2,1-5H3
InChIKeyFQSRTNDDKAOMTN-UHFFFAOYSA-N
XLogP3.16
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate?
The IUPAC name of 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate (CID 59968778) is not available.
What is the SMILES notation for 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate?
The canonical SMILES for 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate is CC1(C)CC(OP(C)(=O)F)CC(C)(C)N1[O].
What is the InChIKey of 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate?
The InChIKey is FQSRTNDDKAOMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO3P/c1-9(2)6-8(15-16(5,11)14)7-10(3,4)12(9)13/h8H,6-7H2,1-5H3.
What are the key properties of 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate?
1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate has a molecular weight of 252.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Oxyl-2,2,6,6-tetramethyl-4-piperidinyl methylphosphonofluoridate is sourced from PubChem (CID 59968778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).