2-diethoxyphosphoryl-2-fluoro-1-phenylethanone

C12H16FO4P — CID 10540239

IUPAC2-diethoxyphosphoryl-2-fluoro-1-phenylethanone
SMILESCCOP(=O)(OCC)C(F)C(=O)c1ccccc1
InChIInChI=1S/C12H16FO4P/c1-3-16-18(15,17-4-2)12(13)11(14)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKeyOZHRMHOUBYMGSZ-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.43
Rot. Bonds7

About 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone

2-diethoxyphosphoryl-2-fluoro-1-phenylethanone (PubChem CID 10540239) has the molecular formula C12H16FO4P and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-diethoxyphosphoryl-2-fluoro-1-phenylethanone
PubChem CID10540239
Molecular FormulaC12H16FO4P
Molecular Weight274.23 g/mol
Exact Mass274.08
IUPAC Name2-diethoxyphosphoryl-2-fluoro-1-phenylethanone
SMILESCCOP(=O)(OCC)C(F)C(=O)c1ccccc1
InChIInChI=1S/C12H16FO4P/c1-3-16-18(15,17-4-2)12(13)11(14)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKeyOZHRMHOUBYMGSZ-UHFFFAOYSA-N
XLogP3.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.43
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-2-fluoro-1-phenylethanone?
The IUPAC name of 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone (CID 10540239) is 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone?
The canonical SMILES for 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone is CCOP(=O)(OCC)C(F)C(=O)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone?
The InChIKey is OZHRMHOUBYMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FO4P/c1-3-16-18(15,17-4-2)12(13)11(14)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone?
2-diethoxyphosphoryl-2-fluoro-1-phenylethanone has a molecular weight of 274.23 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-2-fluoro-1-phenylethanone is sourced from PubChem (CID 10540239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).