[fluorooxy(hydroxy)phosphoryl] acetate

C2H4FO5P — CID 54246379

IUPAC[fluorooxy(hydroxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(O)OF
InChIInChI=1S/C2H4FO5P/c1-2(4)7-9(5,6)8-3/h1H3,(H,5,6)
InChIKeyQTOLJYZSQHSBJR-UHFFFAOYSA-N
MW158.02 g/mol
LogP0.55
Rot. Bonds2

About [fluorooxy(hydroxy)phosphoryl] acetate

[fluorooxy(hydroxy)phosphoryl] acetate (PubChem CID 54246379) has the molecular formula C2H4FO5P and a molecular weight of 158.02 g/mol. Its IUPAC name is [fluorooxy(hydroxy)phosphoryl] acetate.

Molecular Properties

Compound Name[fluorooxy(hydroxy)phosphoryl] acetate
PubChem CID54246379
Molecular FormulaC2H4FO5P
Molecular Weight158.02 g/mol
Exact Mass157.98
IUPAC Name[fluorooxy(hydroxy)phosphoryl] acetate
SMILESCC(=O)OP(=O)(O)OF
InChIInChI=1S/C2H4FO5P/c1-2(4)7-9(5,6)8-3/h1H3,(H,5,6)
InChIKeyQTOLJYZSQHSBJR-UHFFFAOYSA-N
XLogP0.55
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.02
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

fluoro methyl hydrogen phosphate
CID 87128109
lithium;potassium;phosphono acetate
CID 71300541
diacetyloxyphosphoryl acetate;hydrate
CID 129021524
dimethylphosphoryl acetate
CID 87462570
fluoro propan-2-yl hydrogen phosphate
CID 22590861
lithium;diacetyloxyphosphoryl acetate;hydride
CID 175589936
bromo fluoro hydrogen phosphate
CID 174047934
[hydroxy(phenoxy)phosphoryl] acetate
CID 10198286
magnesium bis(diacetyl phosphate)
CID 71300565
[acetyloxy(diacetyloxyphosphorylmethyl)phosphoryl] acetate
CID 91654231
2,3-dimethylbutane-2,3-diol;fluoro methyl hydrogen phosphate
CID 175130665
fluoro dihydrogen phosphate;iron
CID 173042796

Frequently Asked Questions

What is the IUPAC name of [fluorooxy(hydroxy)phosphoryl] acetate?
The IUPAC name of [fluorooxy(hydroxy)phosphoryl] acetate (CID 54246379) is [fluorooxy(hydroxy)phosphoryl] acetate.
What is the SMILES notation for [fluorooxy(hydroxy)phosphoryl] acetate?
The canonical SMILES for [fluorooxy(hydroxy)phosphoryl] acetate is CC(=O)OP(=O)(O)OF.
What is the InChIKey of [fluorooxy(hydroxy)phosphoryl] acetate?
The InChIKey is QTOLJYZSQHSBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4FO5P/c1-2(4)7-9(5,6)8-3/h1H3,(H,5,6).
What are the key properties of [fluorooxy(hydroxy)phosphoryl] acetate?
[fluorooxy(hydroxy)phosphoryl] acetate has a molecular weight of 158.02 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [fluorooxy(hydroxy)phosphoryl] acetate is sourced from PubChem (CID 54246379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).