1-[fluoro(methoxy)phosphoryl]ethanone

C3H6FO3P — CID 87462098

IUPAC1-[fluoro(methoxy)phosphoryl]ethanone
SMILESCOP(=O)(F)C(C)=O
InChIInChI=1S/C3H6FO3P/c1-3(5)8(4,6)7-2/h1-2H3
InChIKeyQVAZSWMDRHWYTD-UHFFFAOYSA-N
MW140.05 g/mol
LogP1.34
Rot. Bonds2

About 1-[fluoro(methoxy)phosphoryl]ethanone

1-[fluoro(methoxy)phosphoryl]ethanone (PubChem CID 87462098) has the molecular formula C3H6FO3P and a molecular weight of 140.05 g/mol. Its IUPAC name is 1-[fluoro(methoxy)phosphoryl]ethanone.

Molecular Properties

Compound Name1-[fluoro(methoxy)phosphoryl]ethanone
PubChem CID87462098
Molecular FormulaC3H6FO3P
Molecular Weight140.05 g/mol
Exact Mass140.00
IUPAC Name1-[fluoro(methoxy)phosphoryl]ethanone
SMILESCOP(=O)(F)C(C)=O
InChIInChI=1S/C3H6FO3P/c1-3(5)8(4,6)7-2/h1-2H3
InChIKeyQVAZSWMDRHWYTD-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.05
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetyl(methoxy)phosphinate
CID 656481
Acetyl-methoxy-oxophosphanium
CID 56982635
Sodium;acetyl-methoxy-oxophosphanium;hydride
CID 173083226

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methoxy)phosphoryl]ethanone?
The IUPAC name of 1-[fluoro(methoxy)phosphoryl]ethanone (CID 87462098) is 1-[fluoro(methoxy)phosphoryl]ethanone.
What is the SMILES notation for 1-[fluoro(methoxy)phosphoryl]ethanone?
The canonical SMILES for 1-[fluoro(methoxy)phosphoryl]ethanone is COP(=O)(F)C(C)=O.
What is the InChIKey of 1-[fluoro(methoxy)phosphoryl]ethanone?
The InChIKey is QVAZSWMDRHWYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FO3P/c1-3(5)8(4,6)7-2/h1-2H3.
What are the key properties of 1-[fluoro(methoxy)phosphoryl]ethanone?
1-[fluoro(methoxy)phosphoryl]ethanone has a molecular weight of 140.05 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methoxy)phosphoryl]ethanone is sourced from PubChem (CID 87462098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).