2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine

C15H25F2NO6P2 — CID 10501969

IUPAC2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine
SMILESCCOP(=O)(OCC)C(F)c1cccc(C(F)P(=O)(OCC)OCC)n1
InChIInChI=1S/C15H25F2NO6P2/c1-5-21-25(19,22-6-2)14(16)12-10-9-11-13(18-12)15(17)26(20,23-7-3)24-8-4/h9-11,14-15H,5-8H2,1-4H3
InChIKeyFKPQLNWJBNHVCF-UHFFFAOYSA-N
MW415.31 g/mol
LogP5.55
Rot. Bonds12

About 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine

2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine (PubChem CID 10501969) has the molecular formula C15H25F2NO6P2 and a molecular weight of 415.31 g/mol. Its IUPAC name is 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine
PubChem CID10501969
Molecular FormulaC15H25F2NO6P2
Molecular Weight415.31 g/mol
Exact Mass415.11
IUPAC Name2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine
SMILESCCOP(=O)(OCC)C(F)c1cccc(C(F)P(=O)(OCC)OCC)n1
InChIInChI=1S/C15H25F2NO6P2/c1-5-21-25(19,22-6-2)14(16)12-10-9-11-13(18-12)15(17)26(20,23-7-3)24-8-4/h9-11,14-15H,5-8H2,1-4H3
InChIKeyFKPQLNWJBNHVCF-UHFFFAOYSA-N
XLogP5.55
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.31
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine?
The IUPAC name of 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine (CID 10501969) is 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine.
What is the SMILES notation for 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine?
The canonical SMILES for 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine is CCOP(=O)(OCC)C(F)c1cccc(C(F)P(=O)(OCC)OCC)n1.
What is the InChIKey of 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine?
The InChIKey is FKPQLNWJBNHVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO6P2/c1-5-21-25(19,22-6-2)14(16)12-10-9-11-13(18-12)15(17)26(20,23-7-3)24-8-4/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine?
2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine has a molecular weight of 415.31 g/mol, XLogP of 5.55, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[diethoxyphosphoryl(fluoro)methyl]pyridine is sourced from PubChem (CID 10501969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).