2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine

C12H19FNO3P — CID 176651267

IUPAC2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine
SMILESCCOP(=O)(OCC)c1ncc(C(C)C)cc1F
InChIInChI=1S/C12H19FNO3P/c1-5-16-18(15,17-6-2)12-11(13)7-10(8-14-12)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyWOEGZEXVXJYXSE-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.24
Rot. Bonds6

About 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine

2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine (PubChem CID 176651267) has the molecular formula C12H19FNO3P and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine
PubChem CID176651267
Molecular FormulaC12H19FNO3P
Molecular Weight275.26 g/mol
Exact Mass275.11
IUPAC Name2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine
SMILESCCOP(=O)(OCC)c1ncc(C(C)C)cc1F
InChIInChI=1S/C12H19FNO3P/c1-5-16-18(15,17-6-2)12-11(13)7-10(8-14-12)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyWOEGZEXVXJYXSE-UHFFFAOYSA-N
XLogP3.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.24
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 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine?
The IUPAC name of 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine (CID 176651267) is 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine.
What is the SMILES notation for 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine?
The canonical SMILES for 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine is CCOP(=O)(OCC)c1ncc(C(C)C)cc1F.
What is the InChIKey of 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine?
The InChIKey is WOEGZEXVXJYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FNO3P/c1-5-16-18(15,17-6-2)12-11(13)7-10(8-14-12)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine?
2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine has a molecular weight of 275.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3-fluoro-5-propan-2-ylpyridine is sourced from PubChem (CID 176651267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).